From 843a9b3b889971a9954dcbcb3e7387e74fefbbc8 Mon Sep 17 00:00:00 2001 From: Emmanuel Giner Date: Tue, 16 Feb 2016 11:26:24 +0100 Subject: [PATCH] Added H_apply.irp.f in All_singles --- plugins/All_singles/H_apply.irp.f | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) create mode 100644 plugins/All_singles/H_apply.irp.f diff --git a/plugins/All_singles/H_apply.irp.f b/plugins/All_singles/H_apply.irp.f new file mode 100644 index 00000000..d0a41f90 --- /dev/null +++ b/plugins/All_singles/H_apply.irp.f @@ -0,0 +1,18 @@ +use bitmasks +BEGIN_SHELL [ /usr/bin/env python ] +from generate_h_apply import * + +s = H_apply("just_1h_1p") +s.set_selection_pt2("epstein_nesbet_2x2") +s.unset_skip() +s.filter_only_1h1p() +print s + +s = H_apply("just_mono") +s.set_selection_pt2("epstein_nesbet_2x2") +s.unset_skip() +s.unset_double_excitations() +print s + +END_SHELL +