AbdAmmar d889e67146 opt-g added		2022-12-05 00:08:00 +01:00
..
combine_lr_tcscf.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
diago_bi_ort_tcfock.irp.f	merged version: ok	2022-10-31 19:14:27 +01:00
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	Merge pull request #2 from QuantumPackage/good-dev-tc	2022-11-03 19:09:47 +01:00
fock_three_bi_ortho_new_new.irp.f	added the 3body contribution in the energy for TCSCF	2022-11-19 17:07:21 +01:00
fock_three_bi_ortho.irp.f	implemented the new version of TC 3e fock operator	2022-11-18 18:01:15 +01:00
fock_three_utils.irp.f	added tc_scf	2022-10-05 16:04:49 +02:00
fock_three.irp.f	added the 3body contribution in the energy for TCSCF	2022-11-19 17:07:21 +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
print_fit_param.irp.f	opt-g added	2022-12-05 00:08:00 +01:00
rotate_tcscf_orbitals.irp.f	merged version: ok	2022-10-31 19:14:27 +01:00
routines_rotates.irp.f	opt-g added	2022-12-05 00:08:00 +01:00
tc_petermann_factor.irp.f	cycle in integ added	2022-11-21 10:38:42 +01:00
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	opt-g added	2022-12-05 00:08:00 +01:00
three_e_energy_bi_ortho.irp.f	added the 3body contribution in the energy for TCSCF	2022-11-19 17:07:21 +01:00