reduce_array_size Subroutine

private subroutine reduce_array_size(nref, nrefd, rmtref, vref, ncls, nclsd, nacls, rcls)

Uses

    • mod_datatypes

Overwrite nrefd and nclsd with actual values and change allocations accordingly Should be called after nrefd, nclsd have been determined in clsgen_tb

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nref

actual number of reference potentials

integer, intent(inout) :: nrefd

maximal number of reference potentials

real(kind=dp), intent(inout), dimension (:), allocatable :: rmtref

Muffin-tin radius of reference system

real(kind=dp), intent(inout), dimension (:), allocatable :: vref

reference potential

integer, intent(in) :: ncls

actual number of clusters

integer, intent(inout) :: nclsd

maximal number of clusters

integer, intent(inout), dimension(:), allocatable :: nacls

number of atom in cluster

real(kind=dp), intent(inout), dimension(:, :, :), allocatable :: rcls

real space position of atoms in cluster