PUBLIC :: dbcsr_get_info
PUBLIC :: dbcsr_distribution_get
PUBLIC :: dbcsr_setname
PUBLIC :: dbcsr_get_matrix_type
PUBLIC :: dbcsr_get_occupation
PUBLIC :: dbcsr_nblkrows_total
PUBLIC :: dbcsr_nblkcols_total
PUBLIC :: dbcsr_get_num_blocks
PUBLIC :: dbcsr_get_data_size
PUBLIC :: dbcsr_has_symmetry
PUBLIC :: dbcsr_nfullrows_total
PUBLIC :: dbcsr_nfullcols_total
PUBLIC :: dbcsr_get_stored_coordinates
PUBLIC :: dbcsr_valid_index
PUBLIC :: dbcsr_get_data_type
Functions
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
Return Value
logical(kind=c_bool)
private function c_dbcsr_checksum(c_matrix, c_local, c_pos) result(c_checksum) bind(C, name="c_dbcsr_checksum")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_local |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_pos |
|
Return Value
real(kind=c_double)
private function c_dbcsr_maxabs(c_matrix) result(c_norm) bind(C, name="c_dbcsr_maxabs")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
real(kind=c_double)
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
real(kind=c_double)
private function c_dbcsr_frobenius_norm(c_matrix, c_local) result(c_norm) bind(C, name="c_dbcsr_frobenius_norm")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_local |
|
Return Value
real(kind=c_double)
private function c_dbcsr_nblkrows_total(c_matrix) result(c_nblkrows_tot) bind(C, name="c_dbcsr_nblkrows_total")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_nblkcols_total(c_matrix) result(c_nblkcols_tot) bind(C, name="c_dbcsr_nblkcols_total")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_nblkrows_local(c_matrix) result(c_nblkrows_loc) bind(C, name="c_dbcsr_nblkrows_local")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_nblkcols_local(c_matrix) result(c_nblkcols_loc) bind(C, name="c_dbcsr_nblkcols_local")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
character(kind=c_char, len=1)
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
real(kind=c_double)
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_get_data_size(c_matrix) result(c_data_size) bind(C, name="c_dbcsr_get_data_size")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_has_symmetry(c_matrix) result(c_has_symmetry) bind(C, name="c_dbcsr_has_symmetry")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
logical(kind=c_bool)
private function c_dbcsr_nfullrows_total(c_matrix) result(c_nfullrows_total) bind(C, name="c_dbcsr_nfullrows_total")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_nfullcols_total(c_matrix) result(c_nfullcols_total) bind(C, name="c_dbcsr_nfullcols_total")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
private function c_dbcsr_valid_index(c_matrix) result(c_valid_index) bind(C, name="c_dbcsr_valid_index")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
logical(kind=c_bool)
private function c_dbcsr_get_data_type(c_matrix) result(c_data_type) bind(C, name="c_dbcsr_get_data_type")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
Return Value
integer(kind=c_int)
Subroutines
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in) |
|
|
:: |
c_str |
|
character(kind=c_char, len=:),
|
intent(out), |
|
ALLOCATABLE
|
:: |
str |
|
private subroutine c_dbcsr_init_lib(fcomm, io_unit) bind(C, name="c_dbcsr_init_lib_internal")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
fcomm |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
io_unit |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_dist |
|
private subroutine c_dbcsr_print_statistics(c_print_timers, c_callgraph_filename) bind(C, name="c_dbcsr_print_statistics")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_print_timers |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_callgraph_filename |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_dist |
|
private subroutine c_dbcsr_distribution_new(c_dist, fcomm, c_row_dist, row_dist_size, c_col_dist, col_dist_size) bind(C, name="c_dbcsr_distribution_new_aux")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_dist |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
fcomm |
|
integer(kind=c_int),
|
intent(in), |
|
TARGET
|
:: |
c_row_dist(row_dist_size) |
|
integer(kind=c_int),
|
intent(in), |
|
value
|
:: |
row_dist_size |
|
integer(kind=c_int),
|
intent(in), |
|
TARGET
|
:: |
c_col_dist(col_dist_size) |
|
integer(kind=c_int),
|
intent(in), |
|
value
|
:: |
col_dist_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_dist |
|
private subroutine c_dbcsr_release(c_matrix) bind(C, name="c_dbcsr_release")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix |
|
private subroutine c_dbcsr_create_new(c_matrix, c_name, c_dist, c_matrix_type, c_row_blk_size, c_row_size, c_col_blk_size, c_col_size, c_nze, c_data_type, c_reuse, c_reuse_arrays, c_mutable_work, c_replication_type) bind(C, name="c_dbcsr_create_new")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_dist |
|
character(kind=c_char, len=1),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_type |
|
integer(kind=c_int),
|
intent(in), |
|
TARGET
|
:: |
c_row_blk_size(c_row_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
|
TARGET
|
:: |
c_col_blk_size(c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_nze |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_data_type |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_reuse |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_reuse_arrays |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_mutable_work |
|
character(kind=c_char, len=1),
|
intent(in), |
optional |
|
:: |
c_replication_type |
|
private subroutine c_dbcsr_create_template(c_matrix, c_name, c_template, c_dist, c_matrix_type, c_row_blk_size, c_row_size, C_col_blk_size, c_col_size, c_nze, c_data_type, c_reuse_arrays, c_mutable_work, c_replication_type) bind(C, name="c_dbcsr_create_template")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_template |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_dist |
|
character(kind=c_char, len=1),
|
intent(in), |
optional |
|
:: |
c_matrix_type |
|
integer(kind=c_int),
|
intent(in), |
optional, |
TARGET
|
:: |
c_row_blk_size(c_row_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
optional, |
TARGET
|
:: |
C_col_blk_size(c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_nze |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_data_type |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_reuse_arrays |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_mutable_work |
|
character(kind=c_char, len=1),
|
intent(in), |
optional |
|
:: |
c_replication_type |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
value
|
:: |
c_matrix |
|
private subroutine c_dbcsr_set_d(c_matrix, c_alpha) bind(C, name="c_dbcsr_set_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_double),
|
intent(in), |
|
VALUE
|
:: |
c_alpha |
|
private subroutine c_dbcsr_add_d(c_matrix_a, c_matrix_b, c_alpha_scalar, c_beta_scalar) bind(C, name="c_dbcsr_add_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_double),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
real(kind=c_double),
|
intent(in), |
|
VALUE
|
:: |
c_beta_scalar |
|
private subroutine c_dbcsr_scale_d(c_matrix_a, c_alpha_scalar, c_last_column) bind(C, name="c_dbcsr_scale_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_double),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
private subroutine c_dbcsr_scale_by_vector_d(c_matrix_a, c_alpha, c_alpha_size, c_side) bind(C, name="c_dbcsr_scale_by_vector_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_alpha(c_alpha_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_side |
|
private subroutine c_dbcsr_multiply_d(c_transa, c_transb, c_alpha, c_matrix_a, c_matrix_b, c_beta, c_matrix_c, c_first_row, c_last_row, c_first_column, c_last_column, c_first_k, c_last_k, c_retain_sparsity, c_filter_eps, c_flop) bind(C, name="c_dbcsr_multiply_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transa |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transb |
|
real(kind=c_double),
|
intent(in), |
|
value
|
:: |
c_alpha |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_double),
|
intent(in), |
|
value
|
:: |
c_beta |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_c |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_k |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_k |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_retain_sparsity |
|
real(kind=c_double),
|
|
optional |
|
:: |
c_filter_eps |
|
integer(kind=c_long_long),
|
|
optional |
|
:: |
c_flop |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_alpha_scalar |
|
private subroutine c_dbcsr_set_diag_d(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_set_diag_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_get_diag_d(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_get_diag_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_double),
|
intent(inout) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_trace_d(c_matrix_a, c_trace) bind(C, name="c_dbcsr_trace_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_double),
|
intent(out) |
|
|
:: |
c_trace |
|
private subroutine c_dbcsr_dot_d(c_matrix_a, c_matrix_b, c_result) bind(C, name="c_dbcsr_dot_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_double),
|
intent(inout) |
|
|
:: |
c_result |
|
private subroutine c_dbcsr_get_block_p_d(c_matrix, c_row, c_col, c_block, c_tr, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_p_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_tr |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_get_block_notrans_p_d(c_matrix, c_row, c_col, c_block, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_notrans_p_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_set_s(c_matrix, c_alpha) bind(C, name="c_dbcsr_set_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_float),
|
intent(in), |
|
VALUE
|
:: |
c_alpha |
|
private subroutine c_dbcsr_add_s(c_matrix_a, c_matrix_b, c_alpha_scalar, c_beta_scalar) bind(C, name="c_dbcsr_add_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_float),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
real(kind=c_float),
|
intent(in), |
|
VALUE
|
:: |
c_beta_scalar |
|
private subroutine c_dbcsr_scale_s(c_matrix_a, c_alpha_scalar, c_last_column) bind(C, name="c_dbcsr_scale_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_float),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
private subroutine c_dbcsr_scale_by_vector_s(c_matrix_a, c_alpha, c_alpha_size, c_side) bind(C, name="c_dbcsr_scale_by_vector_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_float),
|
intent(in) |
|
|
:: |
c_alpha(c_alpha_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_side |
|
private subroutine c_dbcsr_multiply_s(c_transa, c_transb, c_alpha, c_matrix_a, c_matrix_b, c_beta, c_matrix_c, c_first_row, c_last_row, c_first_column, c_last_column, c_first_k, c_last_k, c_retain_sparsity, c_filter_eps, c_flop) bind(C, name="c_dbcsr_multiply_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transa |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transb |
|
real(kind=c_float),
|
intent(in), |
|
value
|
:: |
c_alpha |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_float),
|
intent(in), |
|
value
|
:: |
c_beta |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_c |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_k |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_k |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_retain_sparsity |
|
real(kind=c_double),
|
|
optional |
|
:: |
c_filter_eps |
|
integer(kind=c_long_long),
|
|
optional |
|
:: |
c_flop |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_float),
|
intent(in) |
|
|
:: |
c_alpha_scalar |
|
private subroutine c_dbcsr_set_diag_s(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_set_diag_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_float),
|
intent(in) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_get_diag_s(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_get_diag_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_float),
|
intent(inout) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_trace_s(c_matrix_a, c_trace) bind(C, name="c_dbcsr_trace_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
real(kind=c_float),
|
intent(out) |
|
|
:: |
c_trace |
|
private subroutine c_dbcsr_dot_s(c_matrix_a, c_matrix_b, c_result) bind(C, name="c_dbcsr_dot_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
real(kind=c_float),
|
intent(inout) |
|
|
:: |
c_result |
|
private subroutine c_dbcsr_get_block_p_s(c_matrix, c_row, c_col, c_block, c_tr, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_p_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_tr |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_get_block_notrans_p_s(c_matrix, c_row, c_col, c_block, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_notrans_p_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_set_z(c_matrix, c_alpha) bind(C, name="c_dbcsr_set_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_double_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha |
|
private subroutine c_dbcsr_add_z(c_matrix_a, c_matrix_b, c_alpha_scalar, c_beta_scalar) bind(C, name="c_dbcsr_add_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_double_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
complex(kind=c_double_complex),
|
intent(in), |
|
VALUE
|
:: |
c_beta_scalar |
|
private subroutine c_dbcsr_scale_z(c_matrix_a, c_alpha_scalar, c_last_column) bind(C, name="c_dbcsr_scale_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_double_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
private subroutine c_dbcsr_scale_by_vector_z(c_matrix_a, c_alpha, c_alpha_size, c_side) bind(C, name="c_dbcsr_scale_by_vector_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_double_complex),
|
intent(in) |
|
|
:: |
c_alpha(c_alpha_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_side |
|
private subroutine c_dbcsr_multiply_z(c_transa, c_transb, c_alpha, c_matrix_a, c_matrix_b, c_beta, c_matrix_c, c_first_row, c_last_row, c_first_column, c_last_column, c_first_k, c_last_k, c_retain_sparsity, c_filter_eps, c_flop) bind(C, name="c_dbcsr_multiply_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transa |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transb |
|
complex(kind=c_double_complex),
|
intent(in), |
|
value
|
:: |
c_alpha |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_double_complex),
|
intent(in), |
|
value
|
:: |
c_beta |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_c |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_k |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_k |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_retain_sparsity |
|
real(kind=c_double),
|
|
optional |
|
:: |
c_filter_eps |
|
integer(kind=c_long_long),
|
|
optional |
|
:: |
c_flop |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_double_complex),
|
intent(in) |
|
|
:: |
c_alpha_scalar |
|
private subroutine c_dbcsr_set_diag_z(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_set_diag_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_double_complex),
|
intent(in) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_get_diag_z(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_get_diag_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_double_complex),
|
intent(inout) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_trace_z(c_matrix_a, c_trace) bind(C, name="c_dbcsr_trace_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_double_complex),
|
intent(out) |
|
|
:: |
c_trace |
|
private subroutine c_dbcsr_dot_z(c_matrix_a, c_matrix_b, c_result) bind(C, name="c_dbcsr_dot_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_double_complex),
|
intent(inout) |
|
|
:: |
c_result |
|
private subroutine c_dbcsr_get_block_p_z(c_matrix, c_row, c_col, c_block, c_tr, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_p_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_tr |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_get_block_notrans_p_z(c_matrix, c_row, c_col, c_block, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_notrans_p_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_set_c(c_matrix, c_alpha) bind(C, name="c_dbcsr_set_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_float_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha |
|
private subroutine c_dbcsr_add_c(c_matrix_a, c_matrix_b, c_alpha_scalar, c_beta_scalar) bind(C, name="c_dbcsr_add_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_float_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
complex(kind=c_float_complex),
|
intent(in), |
|
VALUE
|
:: |
c_beta_scalar |
|
private subroutine c_dbcsr_scale_c(c_matrix_a, c_alpha_scalar, c_last_column) bind(C, name="c_dbcsr_scale_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_float_complex),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_scalar |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
private subroutine c_dbcsr_scale_by_vector_c(c_matrix_a, c_alpha, c_alpha_size, c_side) bind(C, name="c_dbcsr_scale_by_vector_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_float_complex),
|
intent(in) |
|
|
:: |
c_alpha(c_alpha_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_alpha_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_side |
|
private subroutine c_dbcsr_multiply_c(c_transa, c_transb, c_alpha, c_matrix_a, c_matrix_b, c_beta, c_matrix_c, c_first_row, c_last_row, c_first_column, c_last_column, c_first_k, c_last_k, c_retain_sparsity, c_filter_eps, c_flop) bind(C, name="c_dbcsr_multiply_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transa |
|
character(kind=c_char, len=1),
|
intent(in), |
|
value
|
:: |
c_transb |
|
complex(kind=c_float_complex),
|
intent(in), |
|
value
|
:: |
c_alpha |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_float_complex),
|
intent(in), |
|
value
|
:: |
c_beta |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_c |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_row |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_column |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_first_k |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_last_k |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_retain_sparsity |
|
real(kind=c_double),
|
|
optional |
|
:: |
c_filter_eps |
|
integer(kind=c_long_long),
|
|
optional |
|
:: |
c_flop |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_float_complex),
|
intent(in) |
|
|
:: |
c_alpha_scalar |
|
private subroutine c_dbcsr_set_diag_c(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_set_diag_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_float_complex),
|
intent(in) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_get_diag_c(c_matrix, c_diag, c_diag_size) bind(C, name="c_dbcsr_get_diag_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
complex(kind=c_float_complex),
|
intent(inout) |
|
|
:: |
c_diag(c_diag_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_diag_size |
|
private subroutine c_dbcsr_trace_c(c_matrix_a, c_trace) bind(C, name="c_dbcsr_trace_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
complex(kind=c_float_complex),
|
intent(out) |
|
|
:: |
c_trace |
|
private subroutine c_dbcsr_dot_c(c_matrix_a, c_matrix_b, c_result) bind(C, name="c_dbcsr_dot_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
complex(kind=c_float_complex),
|
intent(inout) |
|
|
:: |
c_result |
|
private subroutine c_dbcsr_get_block_p_c(c_matrix, c_row, c_col, c_block, c_tr, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_p_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_tr |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
private subroutine c_dbcsr_get_block_notrans_p_c(c_matrix, c_row, c_col, c_block, c_found, c_row_size, c_col_size) bind(C, name="c_dbcsr_get_block_notrans_p_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_found |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_redist |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_keep_sparsity |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_summation |
|
private subroutine c_dbcsr_filter(c_matrix, c_eps, c_method, c_use_absolute, c_filter_diag) bind(C, name="c_dbcsr_filter")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_eps |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_method |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_use_absolute |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_filter_diag |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_diag |
|
private subroutine c_dbcsr_transposed(c_transposed, c_normal, c_shallow_data_copy, c_transpose_data, c_transpose_distribution, c_use_distribution) bind(C, name="c_dbcsr_transposed")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_transposed |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_normal |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_shallow_data_copy |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transpose_data |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transpose_distribution |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_use_distribution |
|
private subroutine c_dbcsr_copy(c_matrix_b, c_matrix_a, c_name, c_keep_sparsity, c_shallow_data, c_keep_imaginary, c_matrix_type) bind(C, name="c_dbcsr_copy")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix_b |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_name |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_keep_sparsity |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_shallow_data |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_keep_imaginary |
|
character(kind=c_char, len=1),
|
intent(in), |
optional |
|
:: |
c_matrix_type |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
private subroutine c_dbcsr_desymmetrize(c_matrix_a, c_matrix_b) bind(C, name="c_dbcsr_desymmetrize")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix_b |
|
private subroutine c_dbcsr_clear(c_dbcsr_mat) bind(C, name="c_dbcsr_clear")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_dbcsr_mat |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
private subroutine c_dbcsr_reserve_blocks(c_matrix, c_rows, c_cols, c_size) bind(C, name="c_dbcsr_reserve_blocks")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_rows(c_size) |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_cols(c_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
private subroutine c_dbcsr_reserve_block2d_d(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_transposed, c_existed) bind(C, name="c_dbcsr_reserve_block2d_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col |
|
real(kind=c_double),
|
intent(in), |
|
DIMENSION(c_row_size, c_col_size), TARGET
|
:: |
c_block |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transposed |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_existed |
|
private subroutine c_dbcsr_reserve_block2d_s(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_transposed, c_existed) bind(C, name="c_dbcsr_reserve_block2d_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col |
|
real(kind=c_float),
|
intent(in), |
|
DIMENSION(c_row_size, c_col_size), TARGET
|
:: |
c_block |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transposed |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_existed |
|
private subroutine c_dbcsr_reserve_block2d_z(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_transposed, c_existed) bind(C, name="c_dbcsr_reserve_block2d_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col |
|
complex(kind=c_double_complex),
|
intent(in), |
|
DIMENSION(c_row_size, c_col_size), TARGET
|
:: |
c_block |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transposed |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_existed |
|
private subroutine c_dbcsr_reserve_block2d_c(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_transposed, c_existed) bind(C, name="c_dbcsr_reserve_block2d_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col |
|
complex(kind=c_float_complex),
|
intent(in), |
|
DIMENSION(c_row_size, c_col_size), TARGET
|
:: |
c_block |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in) |
|
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_transposed |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_existed |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_iterator |
|
private subroutine c_dbcsr_iterator_start(c_iterator, c_matrix, c_shared, c_dynamic, c_dynamic_byrows, c_contiguous_pointers, c_read_only) bind(C, name="c_dbcsr_iterator_start")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_iterator |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_shared |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_dynamic |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_dynamic_byrows |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_contiguous_pointers |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_read_only |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_column |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_blk |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_blk_p |
|
private subroutine c_dbcsr_iterator_next_2d_block_d(c_iterator, c_row, c_column, c_block, c_transposed, c_block_number, c_row_size, c_col_size, c_row_offset, c_col_offset) bind(C, name="c_dbcsr_iterator_next_2d_block_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_column |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_transposed |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_block_number |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_offset |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_offset |
|
private subroutine c_dbcsr_iterator_next_2d_block_s(c_iterator, c_row, c_column, c_block, c_transposed, c_block_number, c_row_size, c_col_size, c_row_offset, c_col_offset) bind(C, name="c_dbcsr_iterator_next_2d_block_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_column |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_transposed |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_block_number |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_offset |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_offset |
|
private subroutine c_dbcsr_iterator_next_2d_block_z(c_iterator, c_row, c_column, c_block, c_transposed, c_block_number, c_row_size, c_col_size, c_row_offset, c_col_offset) bind(C, name="c_dbcsr_iterator_next_2d_block_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_column |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_transposed |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_block_number |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_offset |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_offset |
|
private subroutine c_dbcsr_iterator_next_2d_block_c(c_iterator, c_row, c_column, c_block, c_transposed, c_block_number, c_row_size, c_col_size, c_row_offset, c_col_offset) bind(C, name="c_dbcsr_iterator_next_2d_block_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_iterator |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_column |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_block |
|
logical(kind=c_bool),
|
intent(out) |
|
|
:: |
c_transposed |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_block_number |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_size |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_row_offset |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_col_offset |
|
private subroutine c_dbcsr_put_block2d_d(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_summation, c_scale) bind(C, name="c_dbcsr_put_block2d_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_block(c_row_size,c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_summation |
|
real(kind=c_double),
|
intent(in), |
optional |
|
:: |
c_scale |
|
private subroutine c_dbcsr_get_data_d(c_matrix, c_data, c_data_size, c_select_data_type, c_lb, c_ub) bind(C, name="c_dbcsr_get_data_d")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_data |
|
integer(kind=c_long_long),
|
intent(out) |
|
|
:: |
c_data_size |
|
real(kind=c_double),
|
intent(in) |
|
|
:: |
c_select_data_type |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_lb |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_ub |
|
private subroutine c_dbcsr_put_block2d_s(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_summation, c_scale) bind(C, name="c_dbcsr_put_block2d_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
real(kind=c_float),
|
intent(in) |
|
|
:: |
c_block(c_row_size,c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_summation |
|
real(kind=c_float),
|
intent(in), |
optional |
|
:: |
c_scale |
|
private subroutine c_dbcsr_get_data_s(c_matrix, c_data, c_data_size, c_select_data_type, c_lb, c_ub) bind(C, name="c_dbcsr_get_data_s")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_data |
|
integer(kind=c_long_long),
|
intent(out) |
|
|
:: |
c_data_size |
|
real(kind=c_float),
|
intent(in) |
|
|
:: |
c_select_data_type |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_lb |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_ub |
|
private subroutine c_dbcsr_put_block2d_z(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_summation, c_scale) bind(C, name="c_dbcsr_put_block2d_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
complex(kind=c_double_complex),
|
intent(in) |
|
|
:: |
c_block(c_row_size,c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_summation |
|
complex(kind=c_double_complex),
|
intent(in), |
optional |
|
:: |
c_scale |
|
private subroutine c_dbcsr_get_data_z(c_matrix, c_data, c_data_size, c_select_data_type, c_lb, c_ub) bind(C, name="c_dbcsr_get_data_z")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_data |
|
integer(kind=c_long_long),
|
intent(out) |
|
|
:: |
c_data_size |
|
complex(kind=c_double_complex),
|
intent(in) |
|
|
:: |
c_select_data_type |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_lb |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_ub |
|
private subroutine c_dbcsr_put_block2d_c(c_matrix, c_row, c_col, c_block, c_row_size, c_col_size, c_summation, c_scale) bind(C, name="c_dbcsr_put_block2d_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col |
|
complex(kind=c_float_complex),
|
intent(in) |
|
|
:: |
c_block(c_row_size,c_col_size) |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_row_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_col_size |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_summation |
|
complex(kind=c_float_complex),
|
intent(in), |
optional |
|
:: |
c_scale |
|
private subroutine c_dbcsr_get_data_c(c_matrix, c_data, c_data_size, c_select_data_type, c_lb, c_ub) bind(C, name="c_dbcsr_get_data_c")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_data |
|
integer(kind=c_long_long),
|
intent(out) |
|
|
:: |
c_data_size |
|
complex(kind=c_float_complex),
|
intent(in) |
|
|
:: |
c_select_data_type |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_lb |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_ub |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
private subroutine c_dbcsr_distribute(c_matrix, c_fast) bind(C, name="c_dbcsr_distribute")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_fast |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
private subroutine c_dbcsr_hadamard_product(c_matrix_a, c_matrix_b, c_matrix_c, c_b_assume_value) bind(C, name="c_dbcsr_hadamard_product")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_a |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_b |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix_c |
|
real(kind=c_double),
|
intent(in), |
optional |
|
:: |
c_b_assume_value |
|
private subroutine c_dbcsr_print(c_matrix) bind(C, name="c_dbcsr_print")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
value
|
:: |
c_matrix |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
optional |
|
:: |
c_unit_nr |
|
private subroutine c_dbcsr_norm_scalar(c_matrix, c_which_norm, c_norm_scalar) bind(C, name="c_dbcsr_norm_scalar")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_which_norm |
|
real(kind=c_double),
|
intent(out) |
|
|
:: |
c_norm_scalar |
|
private subroutine c_dbcsr_triu(c_matrix) bind(C, name="c_dbcsr_triu")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
private subroutine c_dbcsr_init_random(c_matrix, c_keep_sparsity) bind(C, name="c_dbcsr_init_random")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
logical(kind=c_bool),
|
intent(in), |
optional |
|
:: |
c_keep_sparsity |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_func |
|
real(kind=c_double),
|
intent(in), |
optional |
|
:: |
c_a0 |
|
real(kind=c_double),
|
intent(in), |
optional |
|
:: |
c_a1 |
|
real(kind=c_double),
|
intent(in), |
optional |
|
:: |
c_a2 |
|
private subroutine c_dbcsr_get_info(c_matrix, c_nblkrows_total, c_nblkcols_total, c_nfullrows_total, c_nfullcols_total, c_nblkrows_local, c_nblkcols_local, c_nfullrows_local, c_nfullcols_local, c_my_prow, c_my_pcol, c_local_rows, c_local_cols, c_proc_row_dist, c_proc_col_dist, c_row_blk_size, c_col_blk_size, c_row_blk_offset, c_col_blk_offset, c_distribution, c_name, c_matrix_type, c_data_type, c_group) bind(C, name="c_dbcsr_get_info")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nblkrows_total |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nblkcols_total |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nfullrows_total |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nfullcols_total |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nblkrows_local |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nblkcols_local |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nfullrows_local |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nfullcols_local |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_my_prow |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_my_pcol |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_local_rows |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_local_cols |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_proc_row_dist |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_proc_col_dist |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_row_blk_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_col_blk_size |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_row_blk_offset |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_col_blk_offset |
|
type(c_ptr),
|
intent(out), |
optional |
|
:: |
c_distribution |
|
type(c_ptr),
|
intent(out), |
optional |
|
:: |
c_name |
|
character(kind=c_char, len=1),
|
intent(out), |
optional |
|
:: |
c_matrix_type |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_data_type |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_group |
|
private subroutine c_dbcsr_get_local_rows(c_matrix, c_local_rows, c_size) bind(C, name="c_dbcsr_get_local_rows")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_local_rows |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
private subroutine c_dbcsr_get_local_cols(c_matrix, c_local_cols, c_size) bind(C, name="c_dbcsr_get_local_cols")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_local_cols |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_proc_row_dist |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_proc_col_dist |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_row_blk_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_col_blk_size |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_row_blk_offset |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(inout), |
|
DIMENSION(c_size)
|
:: |
c_col_blk_offset |
|
integer(kind=c_int),
|
intent(in), |
|
VALUE
|
:: |
c_size |
|
private subroutine c_dbcsr_get_name(c_matrix, c_name) bind(C, name="c_dbcsr_get_name")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_name |
|
private subroutine c_dbcsr_get_group(c_matrix, c_group) bind(C, name="c_dbcsr_get_group_aux")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
c_group |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(out) |
|
|
:: |
c_dist |
|
private subroutine c_dbcsr_distribution_get(c_dist, c_row_dist, c_col_dist, c_nrows, c_ncols, c_has_threads, c_group, c_mynode, c_numnodes, c_nprows, c_npcols, c_myprow, c_mypcol, c_pgrid, c_subgroups_defined, c_prow_group, c_pcol_group) bind(C, name="c_dbcsr_distribution_get_aux")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_dist |
|
type(c_ptr),
|
intent(out), |
optional |
|
:: |
c_row_dist |
|
type(c_ptr),
|
intent(out), |
optional |
|
:: |
c_col_dist |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nrows |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_ncols |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_has_threads |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_group |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_mynode |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_numnodes |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_nprows |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_npcols |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_myprow |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_mypcol |
|
type(c_ptr),
|
intent(out), |
optional |
|
:: |
c_pgrid |
|
logical(kind=c_bool),
|
intent(out), |
optional |
|
:: |
c_subgroups_defined |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_prow_group |
|
integer(kind=c_int),
|
intent(out), |
optional |
|
:: |
c_pcol_group |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
value
|
:: |
c_matrix |
|
integer(kind=c_int),
|
intent(in), |
|
value
|
:: |
row |
|
integer(kind=c_int),
|
intent(in), |
|
value
|
:: |
col |
|
integer(kind=c_int),
|
intent(out) |
|
|
:: |
processor |
|
private subroutine c_dbcsr_setname(c_matrix, c_newname) bind(C, name="c_dbcsr_setname")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_newname |
|
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_matrix |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_filepath |
|
private subroutine c_dbcsr_binary_read(c_filepath, c_distribution, c_matrix_new) bind(C, name="c_dbcsr_binary_read")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_filepath |
|
type(c_ptr),
|
intent(in), |
|
VALUE
|
:: |
c_distribution |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_matrix_new |
|
private subroutine c_free_string(c_string) bind(C, name="c_free_string")
Arguments
Type |
Intent | Optional | Attributes |
|
Name |
|
type(c_ptr),
|
intent(inout) |
|
|
:: |
c_string |
|