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qp_plugins_scemama/devel/general_mrci/h_apply.irp.f

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2020-12-15 19:02:38 +01:00
! Generates subroutine H_apply_cisd
! ----------------------------------
BEGIN_SHELL [ /usr/bin/env python3 ]
from generate_h_apply import H_apply
H = H_apply("cisd")
print(H)
H = H_apply("cis",do_double_exc=False)
print(H)
H = H_apply("cid",do_mono_exc=False)
print(H)
END_SHELL