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quantum_package/plugins/FOBOCI/H_apply.irp.f
2016-02-17 17:15:54 +01:00

54 lines
884 B
Fortran

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("all_but_1h_and_1p")
s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip()
s.filter_1h()
s.filter_1p()
print s
s = H_apply("standard")
s.set_selection_pt2("epstein_nesbet")
s.unset_skip()
print s
s = H_apply("just_mono")
s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip()
s.unset_double_excitations()
print s
s = H_apply("just_mono_no_1h_no_1p")
s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip()
s.unset_double_excitations()
s.filter_1h()
s.filter_1p()
print s
s = H_apply("just_mono_no_1h_no_1p_no_2p")
s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip()
s.unset_double_excitations()
s.filter_1h()
s.filter_1p()
s.filter_2p()
print s
END_SHELL