diff --git a/src/csf/configuration_CI_sigma_helpers.irp.f b/src/csf/configuration_CI_sigma_helpers.irp.f index cea7640c..508772b6 100644 --- a/src/csf/configuration_CI_sigma_helpers.irp.f +++ b/src/csf/configuration_CI_sigma_helpers.irp.f @@ -342,6 +342,8 @@ END_PROVIDER !call debug_spindet(Isomo,1) !call debug_spindet(Idomo,1) + alphasIcfg = 0_bit_kind + ! find out all pq holes possible nholes = 0 ! holes in SOMO