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Bug fix

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Anthony Scemama 2021-03-17 14:00:56 +01:00
parent 0f890c872d
commit 0444334684
1 changed files with 2 additions and 0 deletions
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devel/import_integrals/export_integrals_mo.irp.f
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@ -1,4 +1,5 @@
program export_integrals_mo program export_integrals_mo
PROVIDE mo_two_e_integrals_in_map
call run call run
end end
@ -55,6 +56,7 @@ subroutine run
double precision, external :: get_two_e_integral double precision, external :: get_two_e_integral
allocate (A(mo_num,mo_num)) allocate (A(mo_num,mo_num))
call ezfio_set_nuclei_nuclear_repulsion(nuclear_repulsion) call ezfio_set_nuclei_nuclear_repulsion(nuclear_repulsion)