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Commit bfe0eb01 authored by Matthias Redies's avatar Matthias Redies
Browse files

Revert "remove argument from trafo_to_orthonorm_bas"

This reverts commit a0384b38.
parent a0384b38
...@@ -275,7 +275,7 @@ CONTAINS ...@@ -275,7 +275,7 @@ CONTAINS
call mpbasis%filter_radbasfn(l, itype, n_radbasfn, eig, eigv) call mpbasis%filter_radbasfn(l, itype, n_radbasfn, eig, eigv)
call trafo_to_orthonorm_bas(mpbasis, n_grid_pt, l, itype, eig, eigv) call trafo_to_orthonorm_bas(mpbasis, n_radbasfn, n_grid_pt, l, itype, eig, eigv)
nn = mpbasis%num_radbasfn(l, itype) nn = mpbasis%num_radbasfn(l, itype)
! Add constant function to l=0 basis and then do a Gram-Schmidt orthonormalization ! Add constant function to l=0 basis and then do a Gram-Schmidt orthonormalization
...@@ -537,19 +537,19 @@ CONTAINS ...@@ -537,19 +537,19 @@ CONTAINS
end function calc_radbas_norm end function calc_radbas_norm
subroutine trafo_to_orthonorm_bas(mpbasis, n_grid_pt, l, itype, eig, eigv) subroutine trafo_to_orthonorm_bas(mpbasis, n_radbasfn, n_grid_pt, l, itype, eig, eigv)
use m_types use m_types
implicit NONE implicit NONE
type(t_mpbasis), intent(inout) :: mpbasis type(t_mpbasis), intent(inout) :: mpbasis
integer, intent(in) :: n_grid_pt, l, itype integer, intent(in) :: n_radbasfn, n_grid_pt, l, itype
real, intent(in) :: eig(:), eigv(:,:) real, intent(in) :: eig(:), eigv(:,:)
integer :: nn, i integer :: nn, i
nn = mpbasis%num_radbasfn(l, itype) nn = mpbasis%num_radbasfn(l, itype)
DO i = 1, n_grid_pt DO i = 1, n_grid_pt
mpbasis%radbasfn_mt(i, 1:nn, l, itype) & mpbasis%radbasfn_mt(i, 1:nn, l, itype) &
= MATMUL(mpbasis%radbasfn_mt(i, 1:nn, l, itype), eigv(:,1:nn))/SQRT(eig(:nn)) = MATMUL(mpbasis%radbasfn_mt(i, 1:n_radbasfn, l, itype), eigv(:,1:nn))/SQRT(eig(:nn))
END DO END DO
end subroutine trafo_to_orthonorm_bas end subroutine trafo_to_orthonorm_bas
......
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