diff --git a/src/cis/cis.irp.f b/src/cis/cis.irp.f index 48f0b9e5..816253c5 100644 --- a/src/cis/cis.irp.f +++ b/src/cis/cis.irp.f @@ -57,7 +57,11 @@ subroutine run implicit none integer :: i - call H_apply_cis + if(pseudo_sym)then + call H_apply_cis_sym + else + call H_apply_cis + endif print *, 'N_det = ', N_det print*,'******************************' print *, 'Energies of the states:' diff --git a/src/cis/h_apply.irp.f b/src/cis/h_apply.irp.f index 2505123d..95aa52e4 100644 --- a/src/cis/h_apply.irp.f +++ b/src/cis/h_apply.irp.f @@ -5,5 +5,10 @@ BEGIN_SHELL [ /usr/bin/env python2 ] from generate_h_apply import H_apply H = H_apply("cis",do_double_exc=False) print H + +H = H_apply("cis_sym",do_double_exc=False) +H.filter_only_connected_to_hf() +print H + END_SHELL