qp2/src/two_body_rdm/test_2_rdm.irp.f

program test_2_rdm
 implicit none
 read_wf = .True.
 touch read_wf 
 call routine_active_only
 call routine_full_mos
 call routine_active_only_trans
end
only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00			`program test_2_rdm`
			`implicit none`
			`read_wf = .True.`
			`touch read_wf`
improved casscf and added README.rst 2023-10-06 15:36:38 +02:00			`call routine_active_only`
all 2rdm clean and work with openmp 2020-03-22 17:15:39 +01:00			`call routine_full_mos`
added transition two rdm 2024-02-10 12:48:29 +01:00			`call routine_active_only_trans`
only active and full 2 rdms are ok 2020-03-19 15:57:49 +01:00			`end`