Makes new distribution with multiplicity
Definition of multiplicity and nimages Multiplicity and number of images are used to match process grid coordinates on nonsquare process grids. Given source_nbins and target_nbins, their relation is source_nbins * multiplicity = target_nbins * nimages. It is best when both multiplicity and nimages are small. To get these two factors, then, one can use the following formulas: nimages = lcm(source_nbins, target_nbins) / target_nbins multiplicity = target_nbins / gcd(source_nbins, target_nbins)
Mapping The new distribution comprises of real bins and images within bins. These can be view as target_nbinsnimages virtual columns. These same virtual columns are also source_nbinsmultiplicity in number. Therefore these virtual columns are mapped from source_nbinsmultiplicity onto target_binsnimages (each target bin has nimages images): Source 4: 1 2 34 5 67 8 9A B C (43) Target 6: 1 23 45 67 89 AB C (62) multiplicity=3, nimages=2, 12 virtual columns (1C). Source bin elements are evenly mapped into one of multiplicity virtual columns. Other (noneven, blocksize aware) mappings could be better.
Type  Intent  Optional  Attributes  Name  

integer,  intent(out),  DIMENSION(:)  ::  new_bins 
new real distribution new image distribution 

integer,  intent(out),  DIMENSION(:)  ::  images 
new real distribution new image distribution 

integer,  intent(in),  DIMENSION(:)  ::  source_bins 
Basis for the new distribution and images Basis for the new distribution and images 

integer,  intent(in),  DIMENSION(:)  ::  source_images 
Basis for the new distribution and images Basis for the new distribution and images 

integer,  intent(in)  ::  nbins 
number of bins in the new real distribution multiplicity number of images in the new distribution 

integer,  intent(in)  ::  multiplicity 
number of bins in the new real distribution multiplicity number of images in the new distribution 

integer,  intent(in)  ::  nimages 
number of bins in the new real distribution multiplicity number of images in the new distribution 
SUBROUTINE rebin_imaged_distribution(new_bins, images, & source_bins, source_images, nbins, multiplicity, nimages) !! Makes new distribution with multiplicity !! !! Definition of multiplicity and nimages !! Multiplicity and number of images are used to match process !! grid coordinates on nonsquare process grids. Given !! source_nbins and target_nbins, their relation is !! source_nbins * multiplicity = target_nbins * nimages. !! It is best when both multiplicity and nimages are small. To !! get these two factors, then, one can use the following formulas: !! nimages = lcm(source_nbins, target_nbins) / target_nbins !! multiplicity = target_nbins / gcd(source_nbins, target_nbins) !! !! Mapping !! The new distribution comprises of real bins and images within !! bins. These can be view as target_nbins*nimages virtual !! columns. These same virtual columns are also !! source_nbins*multiplicity in number. Therefore these virtual !! columns are mapped from source_nbins*multiplicity onto !! target_bins*nimages (each target bin has nimages images): !! Source 4: 1 2 34 5 67 8 9A B C (4*3) !! Target 6: 1 23 45 67 89 AB C (6*2) !! multiplicity=3, nimages=2, 12 virtual columns (1C). !! Source bin elements are evenly mapped into one of multiplicity !! virtual columns. Other (noneven, blocksize aware) mappings !! could be better. INTEGER, DIMENSION(:), INTENT(OUT) :: new_bins, images !! new real distribution !! new image distribution INTEGER, DIMENSION(:), INTENT(IN) :: source_bins, source_images !! Basis for the new distribution and images !! Basis for the new distribution and images INTEGER, INTENT(IN) :: nbins, multiplicity, nimages !! number of bins in the new real distribution !! multiplicity !! number of images in the new distribution INTEGER :: i, virtual_bin !  DO i = 1, SIZE(new_bins) IF (i .LE. SIZE(source_bins)) THEN virtual_bin = source_bins(i)*multiplicity + source_images(i)  1 ELSE ! Fill remainder with a cyclic distribution virtual_bin = MOD(i, nbins*nimages) END IF new_bins(i) = virtual_bin/nimages images(i) = 1 + MOD(virtual_bin, nimages) IF (new_bins(i) .GE. nbins) & DBCSR_ABORT("Wrong bin calculation") IF (images(i) .GT. nimages) & DBCSR_ABORT("Wrong image calculation") END DO END SUBROUTINE rebin_imaged_distribution