LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-08-07 04:50:21 +02:00
Code Issues Releases Wiki Activity

useless minilist computation

Browse Source
This commit is contained in:
Yann Garniron 2015-12-18 08:33:16 +01:00
parent 9ae198d845
commit 57dbad99c3
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
plugins/Perturbation/perturbation.template.f
View File

@ -40,7 +40,6 @@ subroutine perturb_buffer_$PERT(i_generator,buffer,buffer_size,e_2_pert_buffer,c
ASSERT (minval(sum_norm_pert) >= 0.d0)
ASSERT (N_st > 0)
call create_minilist(key_mask, psi_selectors, miniList, idx_miniList, N_det_selectors, N_minilist, Nint)
call create_minilist_find_previous(key_mask, psi_det_generators, miniList_gen, i_generator-1, N_minilist_gen, fullMatch, Nint)
if(fullMatch) then
@ -48,6 +47,7 @@ subroutine perturb_buffer_$PERT(i_generator,buffer,buffer_size,e_2_pert_buffer,c
return
end if
call create_minilist(key_mask, psi_selectors, miniList, idx_miniList, N_det_selectors, N_minilist, Nint)
do i=1,buffer_size