qp2/src/cis/h_apply.irp.f

! Generates subroutine H_apply_cis
! --------------------------------

BEGIN_SHELL [ /usr/bin/env python3 ]
from generate_h_apply import H_apply
H = H_apply("cis",do_double_exc=False)
print(H)

H = H_apply("cis_sym",do_double_exc=False)
H.filter_only_connected_to_hf()
print(H)

END_SHELL
Initial commit 2019-01-25 11:39:31 +01:00			`! Generates subroutine H_apply_cis`
			`! --------------------------------`

First python3 3 working installation 2020-03-17 16:39:43 +01:00			`BEGIN_SHELL [ /usr/bin/env python3 ]`
Initial commit 2019-01-25 11:39:31 +01:00			`from generate_h_apply import H_apply`
			`H = H_apply("cis",do_double_exc=False)`
First python3 3 working installation 2020-03-17 16:39:43 +01:00			`print(H)`
added check_sym 2019-04-26 17:32:52 +02:00
			`H = H_apply("cis_sym",do_double_exc=False)`
			`H.filter_only_connected_to_hf()`
First python3 3 working installation 2020-03-17 16:39:43 +01:00			`print(H)`
added check_sym 2019-04-26 17:32:52 +02:00
Initial commit 2019-01-25 11:39:31 +01:00			`END_SHELL`