PTEROSOR/QuantumPackage
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QuantumPackage/plugins/local/tc_scf
History
eginer fca30b9479 minor modifs
2024-05-21 13:01:48 +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 removed diag_three_elem_hf 2024-05-01 23:17:36 +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