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qp2/src/cis_read/h_apply.irp.f

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2022-04-21 14:25:29 +02:00
! Generates subroutine H_apply_cis
! --------------------------------
BEGIN_SHELL [ /usr/bin/env python3 ]
from generate_h_apply import H_apply
H = H_apply("cis",do_double_exc=False)
print(H)
H = H_apply("cis_sym",do_double_exc=False)
H.filter_only_connected_to_hf()
print(H)
END_SHELL