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corrected problem in cas_s_selected because of the connected_to_ref_by_mono

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This commit is contained in:
Emmanuel Giner 2016-02-17 17:18:48 +01:00
parent bc6c26fb73
commit 286ca3b61c
1 changed files with 4 additions and 0 deletions
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4
plugins/CAS_SD/H_apply.irp.f
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@ -20,18 +20,22 @@ print s
s = H_apply("CAS_S",do_double_exc=False) s = H_apply("CAS_S",do_double_exc=False)
s.unset_double_excitations()
print s print s
s = H_apply("CAS_S_selected_no_skip",do_double_exc=False) s = H_apply("CAS_S_selected_no_skip",do_double_exc=False)
s.unset_double_excitations()
s.set_selection_pt2("epstein_nesbet_2x2") s.set_selection_pt2("epstein_nesbet_2x2")
s.unset_skip() s.unset_skip()
print s print s
s = H_apply("CAS_S_selected",do_double_exc=False) s = H_apply("CAS_S_selected",do_double_exc=False)
s.unset_double_excitations()
s.set_selection_pt2("epstein_nesbet_2x2") s.set_selection_pt2("epstein_nesbet_2x2")
print s print s
s = H_apply("CAS_S_PT2",do_double_exc=False) s = H_apply("CAS_S_PT2",do_double_exc=False)
s.unset_double_excitations()
s.set_perturbation("epstein_nesbet_2x2") s.set_perturbation("epstein_nesbet_2x2")
print s print s