10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-19 19:52:15 +02:00

lines reversed in slater_rules

This commit is contained in:
Yann Garniron 2015-11-25 05:39:22 +01:00 committed by garniron
parent 4f501c0a98
commit 75a2302e08

View File

@ -1541,8 +1541,8 @@ subroutine H_u_0(v_0,u_0,H_jj,n,keys_tmp,Nint)
!$OMP DO SCHEDULE(dynamic)
do sh=1,shortcut(0)
do i=shortcut(sh),shortcut(sh+1)-1
local_threshold = threshold_davidson - dabs(u_0(org_i))
org_i = sort_idx(i)
local_threshold = threshold_davidson - dabs(u_0(org_i))
do j=shortcut(sh),i-1
org_j = sort_idx(j)
if ( dabs(u_0(org_j)) > local_threshold ) then