.. |
31.tc_bi_ortho.bats
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added spin density
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2023-02-24 21:38:09 +01:00 |
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 |
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 |
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 |
EZFIO.cfg
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
h_biortho.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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 |
NEED
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
normal_ordered.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
slater_tc.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
spin_mulliken.irp.f
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added spin density
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2023-02-24 21:38:09 +01:00 |
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 |
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 |
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 |
tc_bi_ortho.irp.f
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few modif for excisted states
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2023-03-28 12:02:28 +02:00 |
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 |
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 |
tc_h_eigvectors.irp.f
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few modif for excisted states
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2023-03-28 12:02:28 +02:00 |
tc_hmat.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
tc_natorb.irp.f
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added tc spin density
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2023-02-23 16:12:00 +01:00 |
tc_prop.irp.f
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added tc spin density
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2023-02-23 16:12:00 +01:00 |
tc_som.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
test_natorb.irp.f
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added tc_bi_ortho
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2023-02-07 17:07:49 +01:00 |
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 |
test_spin_dens.irp.f
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added spin density
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2023-02-24 21:38:09 +01:00 |
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 |
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 |
u0_h_u0.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 |