From 7be57b7a14918f333f73a535bf7eff27a84bf958 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 12 Mar 2020 16:07:28 -0500 Subject: [PATCH] read complex orbitals --- src/hartree_fock/scf.irp.f | 6 +++++- 1 file changed, 5 insertions(+), 1 deletion(-) diff --git a/src/hartree_fock/scf.irp.f b/src/hartree_fock/scf.irp.f index 276b4e65..2b93a1df 100644 --- a/src/hartree_fock/scf.irp.f +++ b/src/hartree_fock/scf.irp.f @@ -45,7 +45,11 @@ subroutine create_guess END_DOC logical :: exists PROVIDE ezfio_filename - call ezfio_has_mo_basis_mo_coef(exists) + if (is_complex) then + call ezfio_has_mo_basis_mo_coef_complex(exists) + else + call ezfio_has_mo_basis_mo_coef(exists) + endif if (.not.exists) then if (mo_guess_type == "HCore") then if (is_complex) then