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31.tc_bi_ortho.bats
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Improve 5idx
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2023-06-02 20:32:31 +02:00 |
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compute_deltamu_right.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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dav_h_tc_s2.irp.f
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minor modif in non-sym Dav
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2023-06-21 10:44:37 +02:00 |
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dressing_vectors_lr.irp.f
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removed UGLY NON ASCII CHARACTERS
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2023-06-29 18:31:48 +02:00 |
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e_corr_bi_ortho.irp.f
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renaming the routines in tc slater rules in _slow when they are naively built
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2023-05-22 18:17:17 +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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removed UGLY NON ASCII CHARACTERS
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2023-06-29 18:31:48 +02:00 |
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h_mat_triple.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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h_tc_bi_ortho_psi.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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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_contractions.irp.f
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no aaa //
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2023-06-10 11:57:28 +02:00 |
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normal_ordered_old.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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normal_ordered_v0.irp.f
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REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE
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2023-09-07 21:13:57 +02:00 |
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normal_ordered.irp.f
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REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE
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2023-09-07 21:13:57 +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_dump.irp.f
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Changed formats E to ES
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2023-07-04 22:17:31 +02:00 |
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print_tc_energy.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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print_tc_spin_dens.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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print_tc_var.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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print_tc_wf.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +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 keywords for r1 grid
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2023-07-02 21:49:25 +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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Fix natorb with numerical integrals of Jastrow
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2023-10-13 15:10:51 +02:00 |
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select_dets_bi_ortho.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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slater_tc_3e_slow.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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slater_tc_opt_diag.irp.f
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noL tested for Ne and O
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2023-09-16 00:28:18 +02:00 |
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slater_tc_opt_double.irp.f
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noL tested for Ne and O
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2023-09-16 00:28:18 +02:00 |
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slater_tc_opt_single.irp.f
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noL tested for Ne and O
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2023-09-16 00:28:18 +02:00 |
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slater_tc_opt.irp.f
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Fix locks in openmp
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2023-09-20 15:16:10 +02:00 |
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slater_tc_slow.irp.f
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noL tested for Ne and O
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2023-09-16 00:28:18 +02:00 |
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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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clean in PROVIDERS
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2023-07-02 15:29:21 +02:00 |
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tc_bi_ortho_prop.irp.f
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added attachment orbitals
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2023-10-03 20:04:34 +02:00 |
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tc_bi_ortho.irp.f
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Add many call provide in TC
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2023-09-22 16:26:58 +02:00 |
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tc_cisd_sc2_utils.irp.f
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renaming the routines in tc slater rules in _slow when they are naively built
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2023-05-22 18:17:17 +02:00 |
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tc_cisd_sc2.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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tc_h_eigvectors.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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tc_hmat.irp.f
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Fix locks in openmp
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2023-09-20 15:16:10 +02:00 |
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tc_natorb.irp.f
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Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
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2023-10-13 15:10:55 +02:00 |
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tc_prop.irp.f
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added attachment orbitals
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2023-10-03 20:04:34 +02:00 |
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tc_som.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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tc_utils.irp.f
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noL dredding
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2023-09-12 21:00:56 +02:00 |
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test_natorb.irp.f
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added keywords for r1 grid
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2023-07-02 21:49:25 +02:00 |
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test_normal_order.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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test_s2_tc.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +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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OPTIM E_3e for TCSCF
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2023-09-18 12:03:29 +02:00 |
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test_tc_fock.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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test_tc_two_rdm.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
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two_rdm_naive.irp.f
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Fixed Conflict
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2023-09-15 11:37:11 +02:00 |
