mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
17 lines
289 B
Fortran
17 lines
289 B
Fortran
|
use bitmasks
|
||
|
|
BEGIN_SHELL [ /usr/bin/env python ]
|
||
|
|
from generate_h_apply import *
|
||
|
|
|
||
|
|
s = H_apply("DDCI_selection")
|
||
|
|
s.set_selection_pt2("epstein_nesbet_2x2")
|
||
|
|
s.set_filter_2h_2p()
|
||
|
|
print s
|
||
|
|
|
||
|
|
s = H_apply("DDCI_PT2")
|
||
|
|
s.set_perturbation("epstein_nesbet_2x2")
|
||
|
|
s.set_filter_2h_2p()
|
||
|
|
print s
|
||
|
|
|
||
|
|
END_SHELL
|
||
|
|
|