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31.tc_bi_ortho.bats
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added spin density
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2023-02-24 21:38:09 +01:00 |
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compute_deltamu_right.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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dav_h_tc_s2.irp.f
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Removed penalty method from TCSCF: problem with normal ordering
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2023-05-11 22:45:18 +02:00 |
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dressing_vectors_lr.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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e_corr_bi_ortho.irp.f
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added pt2_tc and pt2_tc_cisd
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2023-05-01 14:00:04 +02:00 |
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EZFIO.cfg
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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h_biortho.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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h_tc_bi_ortho_psi.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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h_tc_s2_u0.irp.f
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fixed conf
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2023-05-06 20:42:39 +02:00 |
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h_tc_u0.irp.f
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fixed conflict after TC S^2 merge
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2023-04-10 20:41:16 +02:00 |
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NEED
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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normal_ordered.irp.f
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Merge branch 'dev-stable-tc-scf' of https://github.com/AbdAmmar/qp2 into dev-stable-tc-scf
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2023-05-27 22:35:56 +02:00 |
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print_he_tc_energy.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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print_tc_energy.irp.f
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jast 201 added
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2023-05-06 18:25:06 +02:00 |
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print_tc_spin_dens.irp.f
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added spin density
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2023-02-24 21:38:09 +01:00 |
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print_tc_var.irp.f
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minor modif
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2023-05-01 09:15:58 +02:00 |
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print_tc_wf.irp.f
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norm modif in print_tc_wf
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2023-05-02 21:47:29 +02:00 |
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psi_det_tc_sorted.irp.f
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merged with debug-fci-tc
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2023-03-16 14:08:57 +01:00 |
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psi_left_qmc.irp.f
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save left_part for qmcchem correctly
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2023-03-16 09:01:34 +01:00 |
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psi_r_l_prov.irp.f
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fixed bug in tc_bi_ortho
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2023-04-15 00:59:22 +02:00 |
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pt2_tc_cisd.irp.f
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added some testing PT2 TC programs
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2023-05-02 10:47:56 +02:00 |
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save_bitcpsileft_for_qmcchem.irp.f
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few modif in save tc-wf for qmcchem
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2023-03-31 10:32:02 +02:00 |
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save_tc_bi_ortho_nat.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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select_dets_bi_ortho.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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slater_tc_3e.irp.f
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removed STUPID DAMN BUG in ordering of psi_selectors for TC
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2023-03-14 23:49:38 +01:00 |
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slater_tc_opt_diag.irp.f
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added pt2_tc and pt2_tc_cisd
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2023-05-01 14:00:04 +02:00 |
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slater_tc_opt_double.irp.f
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added pt2_tc and pt2_tc_cisd
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2023-05-01 14:00:04 +02:00 |
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slater_tc_opt_single.irp.f
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added pt2_tc and pt2_tc_cisd
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2023-05-01 14:00:04 +02:00 |
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slater_tc_opt.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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slater_tc.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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spin_mulliken.irp.f
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added spin density
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2023-02-24 21:38:09 +01:00 |
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symmetrized_3_e_int_prov.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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symmetrized_3_e_int.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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tc_bi_ortho_prop.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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tc_bi_ortho.irp.f
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added pt2_tc and pt2_tc_cisd
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2023-05-01 14:00:04 +02:00 |
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tc_cisd_sc2_utils.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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tc_cisd_sc2.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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tc_h_eigvectors.irp.f
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save tc coef
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2023-05-13 12:18:36 +02:00 |
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tc_hmat.irp.f
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tc provide problem solved
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2023-04-01 22:06:32 +02:00 |
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tc_natorb.irp.f
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added tc spin density
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2023-02-23 16:12:00 +01:00 |
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tc_prop.irp.f
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added tc spin density
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2023-02-23 16:12:00 +01:00 |
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tc_som.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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tc_utils.irp.f
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fixed bug in TC-VAR
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2023-06-02 20:19:25 +02:00 |
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test_natorb.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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test_normal_order.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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test_s2_tc.irp.f
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fixed bug in S2 for TC davidson
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2023-04-12 18:43:44 +02:00 |
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test_spin_dens.irp.f
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added spin density
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2023-02-24 21:38:09 +01:00 |
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test_tc_bi_ortho.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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test_tc_fock.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
