LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-06-28 08:02:20 +02:00
Code Issues Releases Wiki Activity

Bug

Browse Source
This commit is contained in:
Anthony Scemama 2016-09-22 12:45:27 +02:00
parent a305140125
commit 2d8b3f75f3
1 changed files with 1 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

1
src/Integrals_Monoelec/pot_mo_ints.irp.f
View File

@ -32,6 +32,7 @@ BEGIN_PROVIDER [double precision, mo_nucl_elec_integral_per_atom, (mo_tot_num_al
! where Rk is the geometry of the kth atom
END_DOC
integer :: k
mo_nucl_elec_integral_per_atom = 0.d0
do k = 1, nucl_num
call ao_to_mo( &