LCPQ/qp2
9
1
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-12-22 03:23:29 +01:00
Code Releases Activity

Fixed

Browse Source
This commit is contained in:
Anthony Scemama 2019-12-17 11:36:10 +01:00
parent 0b2fe07290
commit 8a7d12efdf
1 changed files with 1 additions and 1 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
src/cipsi/selection.irp.f
View File

@ -797,7 +797,7 @@ subroutine fill_buffer_double(i_generator, sp, h1, h2, bannedOrb, banned, fock_d
case(6) case(6)
w = w - coef * coef * selection_weight(istate) w = w - coef * coef * selection_weight(istate)
case(default) case default
! Energy selection ! Energy selection
w = w + e_pert * selection_weight(istate) w = w + e_pert * selection_weight(istate)