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mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-12-22 04:13:40 +01:00

Deprecated CASCF and CC plugins

This commit is contained in:
Anthony Scemama 2023-10-03 18:23:26 +02:00
parent 0e768f7d4d
commit 282ebf07b1
62 changed files with 3 additions and 6 deletions

View File

@ -89,13 +89,10 @@ BEGIN_PROVIDER [ double precision, mo_pseudo_grid, (ao_num,-pseudo_lmax:pseudo_l
do l=0,pseudo_lmax
do m=-l,l
do i=1,ao_num
do j=1,mo_num
if (dabs(ao_pseudo_grid(i,m,l,k,n)) < 1.e-12) then
cycle
endif
if (dabs(mo_coef(i,j)) < 1.e-8) then
cycle
endif
do j=1,mo_num
mo_pseudo_grid(j,m,l,k,n) = mo_pseudo_grid(j,m,l,k,n) + &
ao_pseudo_grid(i,m,l,k,n) * mo_coef(i,j)
enddo