scemama/qp_plugins_scemama
1
0
Fork 0
mirror of https://gitlab.com/scemama/qp_plugins_scemama.git synced 2024-11-07 14:43:41 +01:00
Code Issues Releases Wiki Activity

Bug fix

Browse Source
This commit is contained in:
Anthony Scemama 2021-03-17 14:00:56 +01:00
parent 0f890c872d
commit 0444334684
1 changed files with 2 additions and 0 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

2
devel/import_integrals/export_integrals_mo.irp.f
View File

@ -1,4 +1,5 @@
program export_integrals_mo
PROVIDE mo_two_e_integrals_in_map
call run
end
@ -55,6 +56,7 @@ subroutine run
double precision, external :: get_two_e_integral
allocate (A(mo_num,mo_num))
call ezfio_set_nuclei_nuclear_repulsion(nuclear_repulsion)