eginer 10b602c503 three body terms in TCSCF work for energy gradients but not for the print of energy		2022-11-03 18:53:44 +01:00
..
combine_lr_tcscf.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
diago_bi_ort_tcfock.irp.f	working on rotate	2022-10-26 18:32:08 +02:00
EZFIO.cfg	added tc_scf	2022-10-05 16:04:49 +02:00
fock_for_right.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
fock_tc_mo_tot.irp.f	three body terms in TCSCF work for energy gradients but not for the print of energy	2022-11-03 18:53:44 +01:00
fock_tc.irp.f	three body terms in TCSCF work for energy gradients but not for the print of energy	2022-11-03 18:53:44 +01:00
fock_three_bi_ortho_new.irp.f	three body terms in TCSCF work for energy gradients but not for the print of energy	2022-11-03 18:53:44 +01:00
fock_three_bi_ortho.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
fock_three_utils.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
fock_three.irp.f	three body terms in TCSCF work for energy gradients but not for the print of energy	2022-11-03 18:53:44 +01:00
integrals_in_r_stuff.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
minimize_tc_angles.irp.f	adapted the tc_natorb with block diagonalization	2022-10-29 20:07:33 +02:00
molden_lr_mos.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
NEED	added tc_scf	2022-10-05 16:04:49 +02:00
print_angle_tc_orb.irp.f	minor modifs the minimize_tc_angles routines	2022-10-27 13:21:53 +02:00
rotate_tcscf_orbitals.irp.f	added print_angle_tc_orb.irp.f	2022-10-26 13:29:39 +02:00
routines_rotates.irp.f	split tc_prop.irp.f into tc_natorb.irp.f	2022-10-29 18:53:25 +02:00
tc_scf_dm.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
tc_scf_energy.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
tc_scf_utils.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
tc_scf.irp.f	minor modifs	2022-10-28 15:48:14 +02:00