This is the start of a dbcsr_api, all publicly needed functions
are exported here. The others remain private to the library.
Currently, this is the CP2K used set.
Ultimately, a reduced subset and well defined api will remain,
possibly grouped in to standard and expert api.
Currently, this is work in progress.
Variables
Type | Visibility | Attributes | | Name | | Initial | |
character(len=*), |
private, | parameter | :: |
moduleN | = | 'dbcsr_api' | |
Interfaces
-
private subroutine dbcsr_create_new(matrix, name, dist, matrix_type, row_blk_size, col_blk_size, nze, data_type, reuse, reuse_arrays, mutable_work, replication_type)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in) |
| | :: |
name | |
type(dbcsr_distribution_type), |
intent(in) |
| | :: |
dist | |
character, |
intent(in) |
| | :: |
matrix_type | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
row_blk_size | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
col_blk_size | |
integer, |
intent(in), |
optional | | :: |
nze | |
integer, |
intent(in), |
optional | | :: |
data_type | |
logical, |
intent(in), |
optional | | :: |
reuse | |
logical, |
intent(in), |
optional | | :: |
reuse_arrays | |
logical, |
intent(in), |
optional | | :: |
mutable_work | |
character, |
intent(in), |
optional | | :: |
replication_type | |
-
private subroutine dbcsr_create_template(matrix, name, template, dist, matrix_type, row_blk_size, col_blk_size, nze, data_type, reuse_arrays, mutable_work, replication_type)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in), |
optional | | :: |
name | |
type(dbcsr_type), |
intent(in) |
| | :: |
template | |
type(dbcsr_distribution_type), |
intent(in), |
optional | | :: |
dist | |
character, |
intent(in), |
optional | | :: |
matrix_type | |
integer, |
intent(inout), |
optional | DIMENSION(:), POINTER | :: |
row_blk_size | |
integer, |
intent(inout), |
optional | DIMENSION(:), POINTER | :: |
col_blk_size | |
integer, |
intent(in), |
optional | | :: |
nze | |
integer, |
intent(in), |
optional | | :: |
data_type | |
logical, |
intent(in), |
optional | | :: |
reuse_arrays | |
logical, |
intent(in), |
optional | | :: |
mutable_work | |
character, |
intent(in), |
optional | | :: |
replication_type | |
-
private subroutine dbcsr_trace_d(matrix_a, trace)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(out) |
| | :: |
trace | |
-
private subroutine dbcsr_trace_s(matrix_a, trace)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(out) |
| | :: |
trace | |
-
private subroutine dbcsr_trace_z(matrix_a, trace)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(out) |
| | :: |
trace | |
-
private subroutine dbcsr_trace_c(matrix_a, trace)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(out) |
| | :: |
trace | |
-
private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(inout) |
| | :: |
result | |
-
private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(inout) |
| | :: |
result | |
-
private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(inout) |
| | :: |
result | |
-
private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(inout) |
| | :: |
result | |
-
private subroutine dbcsr_set_d(matrix, alpha)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha | |
-
private subroutine dbcsr_set_s(matrix, alpha)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha | |
-
private subroutine dbcsr_set_c(matrix, alpha)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha | |
-
private subroutine dbcsr_set_z(matrix, alpha)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha | |
-
private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
real(kind=real_8), |
intent(in) |
| | :: |
beta_scalar | |
-
private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
real(kind=real_4), |
intent(in) |
| | :: |
beta_scalar | |
-
private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
complex(kind=real_4), |
intent(in) |
| | :: |
beta_scalar | |
-
private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
complex(kind=real_8), |
intent(in) |
| | :: |
beta_scalar | |
-
private subroutine dbcsr_add_on_diag_d(matrix, alpha_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
-
private subroutine dbcsr_add_on_diag_s(matrix, alpha_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
-
private subroutine dbcsr_add_on_diag_c(matrix, alpha_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
-
private subroutine dbcsr_add_on_diag_z(matrix, alpha_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
-
private subroutine dbcsr_get_diag_d(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_8), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_get_diag_s(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_4), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_get_diag_c(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_get_diag_z(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_set_diag_d(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_set_diag_s(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_set_diag_c(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_set_diag_z(matrix, diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
-
private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
-
private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
-
private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
-
private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
-
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
-
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
-
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
-
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
-
private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
-
private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
-
private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
-
private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
-
private subroutine dbcsr_get_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_p_d(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_p_s(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_p_z(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_p_c(matrix, row, col, block, tr, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_notrans_p_d(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_notrans_p_s(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_notrans_p_z(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_get_2d_block_notrans_p_c(matrix, row, col, block, found, row_size, col_size)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
-
private subroutine dbcsr_put_block_d(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block_s(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block_z(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block_c(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block2d_d(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block2d_s(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block2d_z(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_put_block2d_c(matrix, row, col, block, summation, scale)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
-
private subroutine dbcsr_reserve_block2d_d(matrix, row, col, block, transposed, existed)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
-
private subroutine dbcsr_reserve_block2d_s(matrix, row, col, block, transposed, existed)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
-
private subroutine dbcsr_reserve_block2d_c(matrix, row, col, block, transposed, existed)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
-
private subroutine dbcsr_reserve_block2d_z(matrix, row, col, block, transposed, existed)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
-
public subroutine csr_create_new(csr_mat, nrows_total, ncols_total, nze_total, nze_local, nrows_local, mp_group, data_type)
Create a new CSR matrix and allocate all internal data (excluding dbcsr_mapping)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(csr_type), |
intent(out) |
| | :: |
csr_mat | CSR matrix to return |
integer, |
intent(in) |
| | :: |
nrows_total | total number of rows
total number of columns |
integer, |
intent(in) |
| | :: |
ncols_total | total number of rows
total number of columns |
integer(kind=int_8) |
|
| | :: |
nze_total | total number of non-zero elements |
integer, |
intent(in) |
| | :: |
nze_local | local number of non-zero elements
local number of rows |
integer, |
intent(in) |
| | :: |
nrows_local | local number of non-zero elements
local number of rows |
integer, |
intent(in) |
| | :: |
mp_group | local number of non-zero elements
local number of rows |
integer, |
intent(in), |
optional | | :: |
data_type | data type of the CSR matrix (default real double prec.) |
-
Create a new CSR matrix and allocate all internal data using
an existing CSR matrix. Copies the indices but no actual matrix data.
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(csr_type), |
intent(out) |
| | :: |
matrix_b | Target CSR matrix |
type(csr_type), |
intent(in) |
| | :: |
matrix_a | Source CSR matrix |
-
private function dbcsr_get_wms_data_s(matrix, index_matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_4),DIMENSION(:), POINTER
-
private function dbcsr_get_wms_data_c(matrix, index_matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_4),DIMENSION(:), POINTER
-
private function dbcsr_get_wms_data_d(matrix, index_matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_8),DIMENSION(:), POINTER
-
private function dbcsr_get_wms_data_z(matrix, index_matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_8),DIMENSION(:), POINTER
-
private function dbcsr_get_data_s(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_4),DIMENSION(:), POINTER
-
private function dbcsr_get_data_c(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_4),DIMENSION(:), POINTER
-
private function dbcsr_get_data_d(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_8),DIMENSION(:), POINTER
-
private function dbcsr_get_data_z(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_8),DIMENSION(:), POINTER
-
private subroutine dbcsr_norm_scalar(matrix, which_norm, norm_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout), |
| TARGET | :: |
matrix | |
integer, |
intent(in) |
| | :: |
which_norm | |
real(kind=dp), |
intent(out) |
| | :: |
norm_scalar | |
-
private subroutine dbcsr_norm_r8_vec(matrix, which_norm, norm_vector)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout), |
| TARGET | :: |
matrix | |
integer, |
intent(in) |
| | :: |
which_norm | |
real(kind=dp), |
intent(out), |
| DIMENSION(:) | :: |
norm_vector | |
Derived Types
Components
Type | Visibility | Attributes | | Name | | Initial | |
type(dbcsr_type), |
public, | POINTER | :: |
matrix | => | Null() | |
Components
Type | Visibility | Attributes | | Name | | Initial | |
type(dbcsr_type), |
private | | :: |
prv | | | |
Components
Type | Visibility | Attributes | | Name | | Initial | |
type(dbcsr_iterator), |
private | | :: |
prv | | | |
Functions
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Return Value real(kind=real_8)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
local | |
Return Value real(kind=real_8)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Return Value real(kind=real_8)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value logical
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value character
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value real(kind=real_8)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value integer
Arguments
Return Value logical
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
local | |
logical, |
intent(in), |
optional | | :: |
pos | |
Return Value real(kind=dp)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
Return Value logical
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_8),DIMENSION(:), POINTER
private function dbcsr_get_data_d(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_8),DIMENSION(:), POINTER
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_4),DIMENSION(:), POINTER
private function dbcsr_get_data_s(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value real(kind=real_4),DIMENSION(:), POINTER
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_8),DIMENSION(:), POINTER
private function dbcsr_get_data_z(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_8),DIMENSION(:), POINTER
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_4),DIMENSION(:), POINTER
private function dbcsr_get_data_c(matrix, select_data_type, lb, ub) result(DATA)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
select_data_type | |
integer, |
intent(in), |
optional | | :: |
lb | |
integer, |
intent(in), |
optional | | :: |
ub | |
Return Value complex(kind=real_4),DIMENSION(:), POINTER
Subroutines
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in) |
| | :: |
newname | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
type(dbcsr_type), |
intent(inout) |
| | :: |
redist | |
logical, |
intent(in), |
optional | | :: |
keep_sparsity | |
logical, |
intent(in), |
optional | | :: |
summation | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in), |
| DIMENSION(:) | :: |
rows | |
integer, |
intent(in), |
| DIMENSION(:) | :: |
cols | |
integer, |
intent(in), |
optional | DIMENSION(:) | :: |
blk_pointers | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
integer, |
intent(in), |
optional | | :: |
blk | |
integer, |
intent(out), |
optional | | :: |
index | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
index_matrix | |
integer, |
intent(in) |
| | :: |
newvalue | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
logical, |
|
optional | | :: |
keep_sparsity | |
integer, |
intent(in), |
optional | | :: |
mini_seed | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
column | |
integer, |
intent(out), |
optional | | :: |
processor | |
public subroutine dbcsr_iterator_start(iterator, matrix, shared, dynamic, dynamic_byrows, contiguous_pointers, read_only)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(out) |
| | :: |
iterator | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
shared | |
logical, |
intent(in), |
optional | | :: |
dynamic | |
logical, |
intent(in), |
optional | | :: |
dynamic_byrows | |
logical, |
intent(in), |
optional | | :: |
contiguous_pointers | |
logical, |
intent(in), |
optional | | :: |
read_only | |
Gets the index information of the next block, no data.
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | the iterator |
integer, |
intent(out) |
| | :: |
row | row of the data block
column of the data block
block number |
integer, |
intent(out) |
| | :: |
column | row of the data block
column of the data block
block number |
integer, |
intent(out) |
| | :: |
blk | row of the data block
column of the data block
block number |
integer, |
intent(out), |
optional | | :: |
blk_p | index into block data array |
public subroutine dbcsr_get_info(matrix, nblkrows_total, nblkcols_total, nfullrows_total, nfullcols_total, nblkrows_local, nblkcols_local, nfullrows_local, nfullcols_local, my_prow, my_pcol, local_rows, local_cols, proc_row_dist, proc_col_dist, row_blk_size, col_blk_size, row_blk_offset, col_blk_offset, distribution, name, matrix_type, data_type, group)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(out), |
optional | | :: |
nblkrows_total | |
integer, |
intent(out), |
optional | | :: |
nblkcols_total | |
integer, |
intent(out), |
optional | | :: |
nfullrows_total | |
integer, |
intent(out), |
optional | | :: |
nfullcols_total | |
integer, |
intent(out), |
optional | | :: |
nblkrows_local | |
integer, |
intent(out), |
optional | | :: |
nblkcols_local | |
integer, |
intent(out), |
optional | | :: |
nfullrows_local | |
integer, |
intent(out), |
optional | | :: |
nfullcols_local | |
integer, |
intent(out), |
optional | | :: |
my_prow | |
integer, |
intent(out), |
optional | | :: |
my_pcol | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
local_rows | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
local_cols | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
proc_row_dist | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
proc_col_dist | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
row_blk_size | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
col_blk_size | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
row_blk_offset | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
col_blk_offset | |
type(dbcsr_distribution_type), |
intent(out), |
optional | | :: |
distribution | |
character(len=*), |
intent(out), |
optional | | :: |
name | |
character, |
intent(out), |
optional | | :: |
matrix_type | |
integer, |
intent(out), |
optional | | :: |
data_type | |
integer, |
intent(out), |
optional | | :: |
group | |
public subroutine dbcsr_distribution_get(dist, row_dist, col_dist, nrows, ncols, has_threads, group, mynode, numnodes, nprows, npcols, myprow, mypcol, pgrid, subgroups_defined, prow_group, pcol_group)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_distribution_type), |
intent(in) |
| | :: |
dist | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
row_dist | |
integer, |
|
optional | DIMENSION(:), POINTER | :: |
col_dist | |
integer, |
intent(out), |
optional | | :: |
nrows | |
integer, |
intent(out), |
optional | | :: |
ncols | |
logical, |
intent(out), |
optional | | :: |
has_threads | |
integer, |
intent(out), |
optional | | :: |
group | |
integer, |
intent(out), |
optional | | :: |
mynode | |
integer, |
intent(out), |
optional | | :: |
numnodes | |
integer, |
intent(out), |
optional | | :: |
nprows | |
integer, |
intent(out), |
optional | | :: |
npcols | |
integer, |
intent(out), |
optional | | :: |
myprow | |
integer, |
intent(out), |
optional | | :: |
mypcol | |
integer, |
|
optional | DIMENSION(:, :), POINTER | :: |
pgrid | |
logical, |
intent(out), |
optional | | :: |
subgroups_defined | |
integer, |
intent(out), |
optional | | :: |
prow_group | |
integer, |
intent(out), |
optional | | :: |
pcol_group | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout), |
| TARGET | :: |
matrix | |
integer, |
intent(in) |
| | :: |
which_norm | |
real(kind=dp), |
intent(out) |
| | :: |
norm_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout), |
| TARGET | :: |
matrix | |
integer, |
intent(in) |
| | :: |
which_norm | |
real(kind=dp), |
intent(out), |
| DIMENSION(:) | :: |
norm_vector | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
fast | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
|
| POINTER | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
|
| POINTER | :: |
matrix | |
public subroutine dbcsr_print(matrix, nodata, matlab_format, variable_name, unit_nr)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
nodata | |
logical, |
intent(in), |
optional | | :: |
matlab_format | |
character, |
intent(in), |
optional | | :: |
variable_name | |
integer, |
|
optional | | :: |
unit_nr | |
Prints the sum of the elements in each block
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
|
optional | | :: |
unit_nr | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in), |
optional | | :: |
verbosity | |
logical, |
intent(in), |
optional | | :: |
local | |
Creates new distribution from blockr distributions
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_distribution_type), |
intent(out) |
| | :: |
dist | distribution |
type(dbcsr_distribution_type), |
intent(in), |
optional | | :: |
template | |
integer, |
intent(in), |
optional | | :: |
group | |
integer, |
|
optional | DIMENSION(:, :), POINTER | :: |
pgrid | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
row_dist | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
col_dist | |
logical, |
intent(in), |
optional | | :: |
reuse_arrays | |
Print statistics
Arguments
Type | Intent | Optional | Attributes | | Name | |
logical, |
intent(in), |
optional | | :: |
print_timers | |
character(len=*), |
intent(in), |
optional | | :: |
callgraph_filename | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
logical, |
intent(in), |
optional | | :: |
reshuffle | |
public subroutine dbcsr_work_create(matrix, nblks_guess, sizedata_guess, n, work_mutable)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in), |
optional | | :: |
nblks_guess | |
integer, |
intent(in), |
optional | | :: |
sizedata_guess | |
integer, |
intent(in), |
optional | | :: |
n | |
logical, |
intent(in), |
optional | | :: |
work_mutable | |
private subroutine dbcsr_create_new(matrix, name, dist, matrix_type, row_blk_size, col_blk_size, nze, data_type, reuse, reuse_arrays, mutable_work, replication_type)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in) |
| | :: |
name | |
type(dbcsr_distribution_type), |
intent(in) |
| | :: |
dist | |
character, |
intent(in) |
| | :: |
matrix_type | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
row_blk_size | |
integer, |
intent(inout), |
| DIMENSION(:), POINTER | :: |
col_blk_size | |
integer, |
intent(in), |
optional | | :: |
nze | |
integer, |
intent(in), |
optional | | :: |
data_type | |
logical, |
intent(in), |
optional | | :: |
reuse | |
logical, |
intent(in), |
optional | | :: |
reuse_arrays | |
logical, |
intent(in), |
optional | | :: |
mutable_work | |
character, |
intent(in), |
optional | | :: |
replication_type | |
private subroutine dbcsr_create_template(matrix, name, template, dist, matrix_type, row_blk_size, col_blk_size, nze, data_type, reuse_arrays, mutable_work, replication_type)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in), |
optional | | :: |
name | |
type(dbcsr_type), |
intent(in) |
| | :: |
template | |
type(dbcsr_distribution_type), |
intent(in), |
optional | | :: |
dist | |
character, |
intent(in), |
optional | | :: |
matrix_type | |
integer, |
intent(inout), |
optional | DIMENSION(:), POINTER | :: |
row_blk_size | |
integer, |
intent(inout), |
optional | DIMENSION(:), POINTER | :: |
col_blk_size | |
integer, |
intent(in), |
optional | | :: |
nze | |
integer, |
intent(in), |
optional | | :: |
data_type | |
logical, |
intent(in), |
optional | | :: |
reuse_arrays | |
logical, |
intent(in), |
optional | | :: |
mutable_work | |
character, |
intent(in), |
optional | | :: |
replication_type | |
public subroutine dbcsr_filter(matrix, eps, method, use_absolute, filter_diag)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=dp), |
intent(in) |
| | :: |
eps | |
integer, |
intent(in), |
optional | | :: |
method | |
logical, |
intent(in), |
optional | | :: |
use_absolute | |
logical, |
intent(in), |
optional | | :: |
filter_diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
type(dbcsr_type), |
intent(inout) |
| | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
character(len=*), |
intent(in) |
| | :: |
filepath | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=*), |
intent(in) |
| | :: |
filepath | |
type(dbcsr_distribution_type), |
intent(in) |
| | :: |
distribution | |
integer, |
intent(in), |
optional | | :: |
groupid | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_new | |
public subroutine dbcsr_copy(matrix_b, matrix_a, name, keep_sparsity, shallow_data, keep_imaginary, matrix_type)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_b | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
character(len=*), |
intent(in), |
optional | | :: |
name | |
logical, |
intent(in), |
optional | | :: |
keep_sparsity | |
logical, |
intent(in), |
optional | | :: |
shallow_data | |
logical, |
intent(in), |
optional | | :: |
keep_imaginary | |
character, |
intent(in), |
optional | | :: |
matrix_type | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_b | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_b | |
public subroutine dbcsr_transposed(transposed, normal, shallow_data_copy, transpose_data, transpose_distribution, use_distribution)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
transposed | |
type(dbcsr_type), |
intent(in) |
| | :: |
normal | |
logical, |
intent(in), |
optional | | :: |
shallow_data_copy | |
logical, |
intent(in), |
optional | | :: |
transpose_data | |
logical, |
intent(in), |
optional | | :: |
transpose_distribution | |
type(dbcsr_distribution_type), |
intent(in), |
optional | | :: |
use_distribution | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
integer, |
intent(in) |
| | :: |
func | |
real(kind=dp), |
intent(in), |
optional | | :: |
a0 | |
real(kind=dp), |
intent(in), |
optional | | :: |
a1 | |
real(kind=dp), |
intent(in), |
optional | | :: |
a2 | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
real(kind=dp), |
intent(in), |
optional | | :: |
b_assume_value | |
Deallocates a DBCSR matrix for compatibility with CP2K
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
|
| POINTER | :: |
matrix | DBCSR matrix |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
dbcsr_mat | |
type(csr_type), |
intent(out) |
| | :: |
csr_mat | |
integer |
|
| | :: |
dist_format | |
type(dbcsr_type), |
intent(in), |
optional | | :: |
csr_sparsity | |
integer, |
intent(in), |
optional | | :: |
numnodes | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
dbcsr_mat | |
type(csr_type), |
intent(inout) |
| | :: |
csr_mat | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
dbcsr_mat | |
type(csr_type), |
intent(inout) |
| | :: |
csr_mat | |
Apply filtering threshold eps to DBCSR blocks in order to improve
CSR sparsity (currently only used for testing purposes)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
dbcsr_mat | |
type(dbcsr_type), |
intent(out) |
| | :: |
csr_sparsity | |
real(kind=real_8), |
intent(in) |
| | :: |
eps | |
Clear a matrix
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
dbcsr_mat | |
Emulation of sparse_matrix_types/add_block_node mapped
to add_real_matrix_block.... should not be used any longer
It adds a block to the dbcsr matrix and returns a rank-2 pointer to the
block. Currently it only and always uses the mutable data.
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | DBCSR matrix |
integer, |
intent(in) |
| | :: |
block_row | the row
the column |
integer, |
intent(in) |
| | :: |
block_col | the row
the column |
real(kind=dp), |
|
| DIMENSION(:, :), POINTER | :: |
block | the block to put |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(out) |
| | :: |
trace | |
private subroutine dbcsr_dot_d(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(inout) |
| | :: |
result | |
private subroutine dbcsr_multiply_d(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
private subroutine dbcsr_scale_d(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha | |
private subroutine dbcsr_add_d(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
real(kind=real_8), |
intent(in) |
| | :: |
beta_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_8), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
real(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
real(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(out) |
| | :: |
trace | |
private subroutine dbcsr_dot_s(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(inout) |
| | :: |
result | |
private subroutine dbcsr_multiply_s(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
private subroutine dbcsr_scale_s(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha | |
private subroutine dbcsr_add_s(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
real(kind=real_4), |
intent(in) |
| | :: |
beta_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
real(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
real(kind=real_4), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_8), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_8), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(out) |
| | :: |
trace | |
private subroutine dbcsr_dot_z(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(inout) |
| | :: |
result | |
private subroutine dbcsr_multiply_z(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
private subroutine dbcsr_scale_z(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha | |
private subroutine dbcsr_add_z(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
complex(kind=real_8), |
intent(in) |
| | :: |
beta_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in) |
| | :: |
alpha_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_8), |
intent(out), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(in), |
optional | | :: |
transposed | |
logical, |
intent(out), |
optional | | :: |
existed | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
transposed | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_iterator_type), |
intent(inout) |
| | :: |
iterator | |
integer, |
intent(out) |
| | :: |
row | |
integer, |
intent(out) |
| | :: |
column | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
integer, |
intent(out), |
optional | | :: |
block_number | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
integer, |
intent(out), |
optional | | :: |
row_offset | |
integer, |
intent(out), |
optional | | :: |
col_offset | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:, :) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
block | |
logical, |
intent(in), |
optional | | :: |
summation | |
complex(kind=real_4), |
intent(in), |
optional | | :: |
scale | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:, :), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
tr | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
integer, |
intent(in) |
| | :: |
row | |
integer, |
intent(in) |
| | :: |
col | |
complex(kind=real_4), |
|
| DIMENSION(:), POINTER | :: |
block | |
logical, |
intent(out) |
| | :: |
found | |
integer, |
intent(out), |
optional | | :: |
row_size | |
integer, |
intent(out), |
optional | | :: |
col_size | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(out) |
| | :: |
trace | |
private subroutine dbcsr_dot_c(matrix_a, matrix_b, result)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(inout) |
| | :: |
result | |
private subroutine dbcsr_multiply_c(transa, transb, alpha, matrix_a, matrix_b, beta, matrix_c, first_row, last_row, first_column, last_column, first_k, last_k, retain_sparsity, filter_eps, flop)
Arguments
Type | Intent | Optional | Attributes | | Name | |
character(len=1), |
intent(in) |
| | :: |
transa | |
character(len=1), |
intent(in) |
| | :: |
transb | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(in) |
| | :: |
beta | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_c | |
integer, |
intent(in), |
optional | | :: |
first_row | |
integer, |
intent(in), |
optional | | :: |
last_row | |
integer, |
intent(in), |
optional | | :: |
first_column | |
integer, |
intent(in), |
optional | | :: |
last_column | |
integer, |
intent(in), |
optional | | :: |
first_k | |
integer, |
intent(in), |
optional | | :: |
last_k | |
logical, |
intent(in), |
optional | | :: |
retain_sparsity | |
real(kind=real_8), |
intent(in), |
optional | | :: |
filter_eps | |
integer(kind=int_8), |
intent(out), |
optional | | :: |
flop | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:), TARGET | :: |
alpha | |
character(len=*), |
intent(in) |
| | :: |
side | |
private subroutine dbcsr_scale_c(matrix_a, alpha_scalar, last_column)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
integer, |
intent(in), |
optional | | :: |
last_column | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha | |
private subroutine dbcsr_add_c(matrix_a, matrix_b, alpha_scalar, beta_scalar)
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix_a | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix_b | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
complex(kind=real_4), |
intent(in) |
| | :: |
beta_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in) |
| | :: |
alpha_scalar | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(inout) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(in), |
| DIMENSION(:) | :: |
diag | |
Arguments
Type | Intent | Optional | Attributes | | Name | |
type(dbcsr_type), |
intent(in) |
| | :: |
matrix | |
complex(kind=real_4), |
intent(out), |
| DIMENSION(:) | :: |
diag | |