10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-13 09:34:02 +01:00
quantum_package/src/CAS_SD_selected/H_apply.irp.f

15 lines
235 B
FortranFixed
Raw Normal View History

2015-03-02 13:58:00 +01:00
use bitmasks
BEGIN_SHELL [ /usr/bin/env python ]
from generate_h_apply import *
s = H_apply("FCI")
s.set_selection_pt2("epstein_nesbet_2x2")
print s
s = H_apply("FCI_PT2")
s.set_perturbation("epstein_nesbet_2x2")
print s
END_SHELL