mirror of
https://github.com/LCPQ/quantum_package
synced 2024-12-23 12:56:14 +01:00
24 lines
387 B
Fortran
24 lines
387 B
Fortran
use bitmasks
|
|
BEGIN_SHELL [ /usr/bin/env python ]
|
|
from generate_h_apply import *
|
|
|
|
s = H_apply("CAS_SD")
|
|
print s
|
|
|
|
|
|
s = H_apply("CAS_SD_selected_no_skip")
|
|
s.set_selection_pt2("epstein_nesbet_2x2")
|
|
s.unset_skip()
|
|
print s
|
|
|
|
s = H_apply("CAS_SD_selected")
|
|
s.set_selection_pt2("epstein_nesbet_2x2")
|
|
print s
|
|
|
|
s = H_apply("CAS_SD_PT2")
|
|
s.set_perturbation("epstein_nesbet_2x2")
|
|
print s
|
|
|
|
END_SHELL
|
|
|