quantum_package/plugins/All_singles/H_apply.irp.f

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",do_double_exc=False)
s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip()
print s

END_SHELL
Added H_apply.irp.f in All_singles 2016-02-16 11:26:24 +01:00			`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`

FOBO-SCF executable works 2016-03-11 23:27:39 +01:00			`s = H_apply("just_mono",do_double_exc=False)`
Added H_apply.irp.f in All_singles 2016-02-16 11:26:24 +01:00			`s.set_selection_pt2("epstein_nesbet_2x2")`
			`s.unset_skip()`
			`print s`

			`END_SHELL`