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combine_lr_tcscf.irp.f
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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diago_bi_ort_tcfock.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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diis_tcscf.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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EZFIO.cfg
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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fock_3e_bi_ortho_uhf.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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fock_for_right.irp.f
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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fock_tc_mo_tot.irp.f
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added print_hmat and sparse_mat
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2022-12-21 13:54:20 +01:00 |
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fock_tc.irp.f
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merging with dev
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2023-01-17 17:15:17 +01:00 |
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fock_three_bi_ortho_new_new.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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fock_three_bi_ortho.irp.f
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implemented the new version of TC 3e fock operator
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2022-11-18 18:01:15 +01:00 |
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fock_three_utils.irp.f
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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fock_three.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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integrals_in_r_stuff.irp.f
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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minimize_tc_angles.irp.f
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adapted the tc_natorb with block diagonalization
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2022-10-29 20:07:33 +02:00 |
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molden_lr_mos.irp.f
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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NEED
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added tc_scf
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2022-10-05 16:04:49 +02:00 |
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print_angle_tc_orb.irp.f
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minor modifs the minimize_tc_angles routines
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2022-10-27 13:21:53 +02:00 |
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print_fit_param.irp.f
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opt-g added
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2022-12-05 00:08:00 +01:00 |
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rh_tcscf_diis.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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rh_tcscf_simple.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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rh_tcscf.irp.f
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fixed bug in vectorized integ
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2022-12-10 14:14:45 +01:00 |
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rotate_tcscf_orbitals.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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routines_rotates.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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tc_petermann_factor.irp.f
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cycle in integ added
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2022-11-21 10:38:42 +01:00 |
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tc_scf_dm.irp.f
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merging with dev
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2023-01-17 17:15:17 +01:00 |
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tc_scf_energy.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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tc_scf_utils.irp.f
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clean fork with + TC stuffs
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2023-01-16 23:36:05 +01:00 |
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tc_scf.irp.f
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merging with dev
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2023-01-17 17:15:17 +01:00 |
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test_int.irp.f
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merging with dev
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2023-01-17 17:15:17 +01:00 |
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three_e_energy_bi_ortho.irp.f
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added the 3body contribution in the energy for TCSCF
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2022-11-19 17:07:21 +01:00 |
