mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-07-31 09:34:05 +02:00
19 lines
419 B
Fortran
19 lines
419 B
Fortran
! Generates subroutine H_apply_cisd
|
|
! ----------------------------------
|
|
|
|
BEGIN_SHELL [ /usr/bin/env python2 ]
|
|
from generate_h_apply import H_apply
|
|
H = H_apply("cisd",do_double_exc=True)
|
|
print H
|
|
|
|
from generate_h_apply import H_apply
|
|
H = H_apply("cisdtq",do_double_exc=True)
|
|
H.set_selection_pt2("epstein_nesbet_2x2")
|
|
print H
|
|
|
|
H = H_apply("cisd_sym",do_double_exc=True)
|
|
H.filter_only_connected_to_hf()
|
|
print H
|
|
END_SHELL
|
|
|