mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
15 lines
271 B
Fortran
15 lines
271 B
Fortran
use bitmasks
|
|
BEGIN_SHELL [ /usr/bin/env python ]
|
|
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
|
|
|