10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 13:53:49 +01:00
quantum_package/plugins/MP2/H_apply.irp.f
2018-05-02 19:52:23 +02:00

15 lines
272 B
Fortran

use bitmasks
BEGIN_SHELL [ /usr/bin/env python2 ]
from generate_h_apply import *
from perturbation import perturbations
s = H_apply("mp2")
s.set_perturbation("Moller_plesset")
print s
s = H_apply("mp2_selection")
s.set_selection_pt2("Moller_Plesset")
print s
END_SHELL