quantum_package/plugins/CIS/H_apply.irp.f

mirror of https://github.com/LCPQ/quantum_package synced 2025-01-13 14:29:10 +01:00
! Generates subroutine H_apply_cisd
! ----------------------------------

BEGIN_SHELL [ /usr/bin/env python2 ]
from generate_h_apply import H_apply
H = H_apply("cis",do_double_exc=False)
print H
END_SHELL
Hartree-Fock works well 2014-06-25 14:58:58 +02:00			`! Generates subroutine H_apply_cisd`
			`! ----------------------------------`

Python2 2018-05-02 19:52:23 +02:00			`BEGIN_SHELL [ /usr/bin/env python2 ]`
Hartree-Fock works well 2014-06-25 14:58:58 +02:00			`from generate_h_apply import H_apply`
			`H = H_apply("cis",do_double_exc=False)`
			`print H`
			`END_SHELL`