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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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fixed bug in S2 for TC davidson
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2023-04-12 18:43:44 +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 tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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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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S2 OK in TC
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2023-04-10 19:37:54 +02:00 |
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h_tc_u0.irp.f
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beginning to work on s2 for TC
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2023-04-10 16:12:32 +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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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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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_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_wf.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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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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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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psi_r_l_prov.irp.f
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fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho
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2023-03-16 14:00:21 +01:00 |
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save_bitcpsileft_for_qmcchem.irp.pouet
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added
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2023-02-07 17:24:09 +01:00 |
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save_lr_bi_ortho_states.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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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 the nuclear repulsion in src/tc_bi_ortho/slater_tc_opt_diag.irp.f
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2023-02-19 10:51:07 +01:00 |
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slater_tc_opt_double.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_single.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_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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beginning to work on s2 for TC
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2023-04-10 16:12:32 +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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last update on davidson S2
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2023-04-12 22:44:14 +02:00 |
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tc_hmat.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_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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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 |
