LCPQ/qp2
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Code Releases Activity
qp2/plugins/local/tc_bi_ortho
History
eginer 88cf5d23f1
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Details
changed print_tc_wf
2024-03-13 11:20:03 +01:00
..
31.tc_bi_ortho.bats
The test works for fci_tc_bi but not for tc_bi_ortho
2024-03-12 17:09:58 +01:00
compute_deltamu_right.irp.f
new keywords for Jastrow
2024-01-15 12:02:38 +01:00
dav_h_tc_s2.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
dressing_vectors_lr.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
e_corr_bi_ortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
EZFIO.cfg
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
h_biortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
h_mat_triple.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
h_tc_bi_ortho_psi.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
h_tc_s2_u0.irp.f
introduced TODO comments in TC
2024-03-05 17:24:29 +01:00
h_tc_u0.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
NEED
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
normal_ordered_contractions.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
normal_ordered_old.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
normal_ordered_v0.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
normal_ordered.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_he_tc_energy.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_tc_dump.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_tc_energy.irp.f
debuging 1e-Jastrow
2024-01-17 06:11:06 +01:00
print_tc_spin_dens.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_tc_var.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
print_tc_wf.irp.f
changed print_tc_wf
2024-03-13 11:20:03 +01:00
psi_det_tc_sorted.irp.f
changed print_tc_wf
2024-03-13 11:20:03 +01:00
psi_left_qmc.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
psi_r_l_prov.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
pt2_tc_cisd.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
save_bitcpsileft_for_qmcchem.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
save_tc_bi_ortho_nat.irp.f
removed STUPID stop in save_tc_natorb
2024-03-08 17:25:48 +01:00
select_dets_bi_ortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
slater_tc_3e_slow.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
slater_tc_opt_diag.irp.f
PROVIDING bug
2024-03-01 13:37:46 +01:00
slater_tc_opt_double.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
slater_tc_opt_single.irp.f
PROVIDING bug
2024-03-01 13:37:46 +01:00
slater_tc_opt.irp.f
PROVIDING bug
2024-03-01 13:37:46 +01:00
slater_tc_slow.irp.f
fixed bug for env_type = None
2024-01-17 19:23:24 +01:00
spin_mulliken.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
symmetrized_3_e_int_prov.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
symmetrized_3_e_int.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_bi_ortho_prop.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_bi_ortho.irp.f
PROVIDING bug
2024-03-01 13:37:46 +01:00
tc_cisd_sc2_utils.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_cisd_sc2.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_h_eigvectors.irp.f
fixed n_states > 1 for TC
2024-03-12 15:30:52 +01:00
tc_hmat.irp.f
PROVIDING bug
2024-03-01 13:37:46 +01:00
tc_natorb.irp.f
removed STUPID stop in save_tc_natorb
2024-03-08 17:25:48 +01:00
tc_prop.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
tc_som.irp.f
new keywords for Jastrow
2024-01-15 12:02:38 +01:00
tc_utils.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_natorb.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_normal_order.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_s2_tc.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_spin_dens.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_tc_bi_ortho.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_tc_fock.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
test_tc_two_rdm.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00
two_rdm_naive.irp.f
Moved many modules in plugins/local for quicker installation
2023-11-07 10:27:34 +01:00