LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-26 07:02:14 +02:00
Code Issues Releases Wiki Activity

Davidson is broken because N_states < N_states_diag

Browse Source
This commit is contained in:
Anthony Scemama 2016-09-24 02:21:27 +02:00
parent dc287d7fe2
commit 7f60089223
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/Generators_full/generators.irp.f
View File

@ -30,7 +30,7 @@ END_PROVIDER
! Hartree-Fock determinant
END_DOC
integer :: i, k
do i=1,N_det
do i=1,N_det_generators
do k=1,N_int
psi_det_generators(k,1,i) = psi_det_sorted(k,1,i)
psi_det_generators(k,2,i) = psi_det_sorted(k,2,i)