mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-09-04 18:14:45 +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
|
||
|
|