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Merge pull request #143 from eginer/master

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Added H_apply.irp.f in All_singles
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Emmanuel Giner 2016-02-16 12:00:08 +01:00
commit edd98629d8
1 changed files with 18 additions and 0 deletions
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plugins/All_singles/H_apply.irp.f Normal file
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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