| .. |
|
31.tc_bi_ortho.bats
|
Improve 5idx
|
2023-06-02 20:32:31 +02:00 |
|
compute_deltamu_right.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
dav_h_tc_s2.irp.f
|
minor modif in non-sym Dav
|
2023-06-21 10:44:37 +02:00 |
|
dressing_vectors_lr.irp.f
|
removed UGLY NON ASCII CHARACTERS
|
2023-06-29 18:31:48 +02:00 |
|
e_corr_bi_ortho.irp.f
|
renaming the routines in tc slater rules in _slow when they are naively built
|
2023-05-22 18:17:17 +02:00 |
|
EZFIO.cfg
|
added tc_bi_ortho
|
2023-02-07 17:07:49 +01:00 |
|
h_biortho.irp.f
|
removed UGLY NON ASCII CHARACTERS
|
2023-06-29 18:31:48 +02:00 |
|
h_mat_triple.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
h_tc_bi_ortho_psi.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
h_tc_s2_u0.irp.f
|
fixed conf
|
2023-05-06 20:42:39 +02:00 |
|
h_tc_u0.irp.f
|
fixed conflict after TC S^2 merge
|
2023-04-10 20:41:16 +02:00 |
|
NEED
|
added tc_bi_ortho
|
2023-02-07 17:07:49 +01:00 |
|
normal_ordered_contractions.irp.f
|
no aaa //
|
2023-06-10 11:57:28 +02:00 |
|
normal_ordered_old.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
normal_ordered_v0.irp.f
|
REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE
|
2023-09-07 21:13:57 +02:00 |
|
normal_ordered.irp.f
|
REDUCED NB OF DGEMM IN NORMAL_OREDER TABLE
|
2023-09-07 21:13:57 +02:00 |
|
print_he_tc_energy.irp.f
|
added tc_bi_ortho
|
2023-02-07 17:07:49 +01:00 |
|
print_tc_dump.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
print_tc_energy.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
print_tc_spin_dens.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
print_tc_var.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
print_tc_wf.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
psi_det_tc_sorted.irp.f
|
merged with debug-fci-tc
|
2023-03-16 14:08:57 +01:00 |
|
psi_left_qmc.irp.f
|
save left_part for qmcchem correctly
|
2023-03-16 09:01:34 +01:00 |
|
psi_r_l_prov.irp.f
|
fixed bug in tc_bi_ortho
|
2023-04-15 00:59:22 +02:00 |
|
pt2_tc_cisd.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
save_bitcpsileft_for_qmcchem.irp.f
|
few modif in save tc-wf for qmcchem
|
2023-03-31 10:32:02 +02:00 |
|
save_tc_bi_ortho_nat.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
select_dets_bi_ortho.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
slater_tc_3e_slow.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
slater_tc_opt_diag.irp.f
|
noL tested for Ne and O
|
2023-09-16 00:28:18 +02:00 |
|
slater_tc_opt_double.irp.f
|
noL tested for Ne and O
|
2023-09-16 00:28:18 +02:00 |
|
slater_tc_opt_single.irp.f
|
noL tested for Ne and O
|
2023-09-16 00:28:18 +02:00 |
|
slater_tc_opt.irp.f
|
Fix locks in openmp
|
2023-09-20 15:16:10 +02:00 |
|
slater_tc_slow.irp.f
|
noL tested for Ne and O
|
2023-09-16 00:28:18 +02:00 |
|
spin_mulliken.irp.f
|
added spin density
|
2023-02-24 21:38:09 +01:00 |
|
symmetrized_3_e_int_prov.irp.f
|
added tc_bi_ortho
|
2023-02-07 17:07:49 +01:00 |
|
symmetrized_3_e_int.irp.f
|
clean in PROVIDERS
|
2023-07-02 15:29:21 +02:00 |
|
tc_bi_ortho_prop.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
tc_bi_ortho.irp.f
|
Add many call provide in TC
|
2023-09-22 16:26:58 +02:00 |
|
tc_cisd_sc2_utils.irp.f
|
renaming the routines in tc slater rules in _slow when they are naively built
|
2023-05-22 18:17:17 +02:00 |
|
tc_cisd_sc2.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
tc_h_eigvectors.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
tc_hmat.irp.f
|
Fix locks in openmp
|
2023-09-20 15:16:10 +02:00 |
|
tc_natorb.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
tc_prop.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
tc_som.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
tc_utils.irp.f
|
noL dredding
|
2023-09-12 21:00:56 +02:00 |
|
test_natorb.irp.f
|
added keywords for r1 grid
|
2023-07-02 21:49:25 +02:00 |
|
test_normal_order.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
test_s2_tc.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
test_spin_dens.irp.f
|
added spin density
|
2023-02-24 21:38:09 +01:00 |
|
test_tc_bi_ortho.irp.f
|
OPTIM E_3e for TCSCF
|
2023-09-18 12:03:29 +02:00 |
|
test_tc_fock.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
test_tc_two_rdm.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
|
two_rdm_naive.irp.f
|
Fixed Conflict
|
2023-09-15 11:37:11 +02:00 |
