LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-13 17:43:55 +01:00
Code Issues Releases Wiki Activity

Corrected bug in pt2stoch

Browse Source
This commit is contained in:
Anthony Scemama 2017-02-01 11:39:59 +01:00
parent f56246b456
commit 3bbc3980c5
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/Full_CI_ZMQ/pt2_stoch_routines.irp.f
View File

@ -124,7 +124,7 @@ subroutine do_carlo(tbc, Ncomb, comb, pt2_detail, computed, sumabove, sum2above,
double precision :: myVal, myVal2
mainLoop : do i=1,Ncomb
call get_comb(comb(i), dets)
call get_comb(comb(i), dets, comb_teeth)
do j=1,comb_teeth
if(.not.(computed(dets(j)))) then
exit mainLoop