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call complex roothaan-hall scf

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This commit is contained in:
Kevin Gasperich 2020-01-29 15:20:11 -06:00
parent 15f441819e
commit 4e5cae41d2
1 changed files with 5 additions and 2 deletions
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src/hartree_fock/scf.irp.f
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@ -92,8 +92,11 @@ subroutine run
integer :: i_it, i, j, k integer :: i_it, i, j, k
mo_label = "Orthonormalized" mo_label = "Orthonormalized"
if (is_periodic) then
call roothan_hall_scf_complex
else
call roothaan_hall_scf call roothaan_hall_scf
endif
call ezfio_set_hartree_fock_energy(SCF_energy) call ezfio_set_hartree_fock_energy(SCF_energy)
end end