mirror of
https://gitlab.com/scemama/qp_plugins_scemama.git
synced 2024-11-07 06:33:40 +01:00
16 lines
312 B
Forth
16 lines
312 B
Forth
use bitmasks
|
|
BEGIN_SHELL [ /usr/bin/env python3 ]
|
|
from generate_h_apply import *
|
|
from perturbation import perturbations
|
|
|
|
s = H_apply("mp2")
|
|
s.set_perturbation("Moller_plesset")
|
|
#s.set_perturbation("epstein_nesbet")
|
|
print(s)
|
|
|
|
s = H_apply("mp2_selection")
|
|
s.set_selection_pt2("Moller_Plesset")
|
|
print(s)
|
|
END_SHELL
|
|
|