quantum_package/src/MP2/H_apply.irp.f

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
END_SHELL
CISD selection + MP2 clean 2014-05-27 17:30:44 +02:00			`use bitmasks`
			`BEGIN_SHELL [ /usr/bin/env python ]`
			`from generate_h_apply import *`
			`from perturbation import perturbations`

Acceleration for single ref methods 2014-06-06 16:19:14 +02:00			`s = H_apply("mp2")`
CISD selection + MP2 clean 2014-05-27 17:30:44 +02:00			`s.set_perturbation("Moller_plesset")`
			`print s`
			`END_SHELL`