Abdallah Ammar dee440747f devide BH jast coeff by 2 direct

2024-08-04 11:58:19 +02:00

..

11.tc_scf.bats

fixed the qp_test of tc_scf

2024-03-12 16:52:53 +01:00

diago_bi_ort_tcfock.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

diis_tcscf.irp.f

TC SPRING CLEANING: BEGINNING

2024-05-01 20:25:01 +02:00

EZFIO.cfg

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

fock_tc_mo_tot.irp.f

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

fock_tc.irp.f

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

fock_three_bi_ortho.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

minimize_tc_angles.irp.f

saving olympe2 modif

2024-04-07 00:29:40 +02:00

molden_lr_mos.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

NEED

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

rh_tcscf_diis.irp.f

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

routines_rotates.irp.f

minor modifs

2024-05-21 13:01:48 +02:00

tc_scf_dm.irp.f

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00

tc_scf_energy.irp.f

devide BH jast coeff by 2 direct

2024-08-04 11:58:19 +02:00

tc_scf.irp.f

FIXED BUG IN OPTIM J_BH

2024-05-02 17:18:45 +02:00

write_ao_2e_tc_integ.irp.f

TC-SCF CLEANED

2024-05-01 23:10:18 +02:00