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Code Releases Activity
QuantumPackage/src/tc_bi_ortho
History
AbdAmmar ecfcc42320
Merge pull request #8 from QuantumPackage/dev-stable-tc-scf 
Dev stable tc scf
2023-04-12 21:36:10 +02:00
..
31.tc_bi_ortho.bats
added spin density
2023-02-24 21:38:09 +01:00
compute_deltamu_right.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
dav_h_tc_s2.irp.f
fixed bug in S2 for TC davidson
2023-04-12 18:43:44 +02:00
dressing_vectors_lr.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
e_corr_bi_ortho.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
EZFIO.cfg
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
h_biortho.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
h_tc_bi_ortho_psi.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
h_tc_s2_u0.irp.f
fixed conflict after TC S^2 merge
2023-04-10 20:41:16 +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.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
print_he_tc_energy.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
print_tc_energy.irp.f
print tc energy: OK
2023-04-05 15:59:38 +02:00
print_tc_spin_dens.irp.f
added spin density
2023-02-24 21:38:09 +01:00
print_tc_wf.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
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
TC-orthog problem: ok
2023-04-03 14:55:02 +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_lr_bi_ortho_states.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
save_tc_bi_ortho_nat.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
select_dets_bi_ortho.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
slater_tc_3e.irp.f
removed STUPID DAMN BUG in ordering of psi_selectors for TC
2023-03-14 23:49:38 +01:00
slater_tc_opt_diag.irp.f
added the nuclear repulsion in src/tc_bi_ortho/slater_tc_opt_diag.irp.f
2023-02-19 10:51:07 +01:00
slater_tc_opt_double.irp.f
removed STUPID DAMN BUG in ordering of psi_selectors for TC
2023-03-14 23:49:38 +01:00
slater_tc_opt_single.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
slater_tc_opt.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
slater_tc.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
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
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
tc_bi_ortho_prop.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
tc_bi_ortho.irp.f
fixed conflict after TC S^2 merge
2023-04-10 20:41:16 +02:00
tc_cisd_sc2_utils.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
tc_cisd_sc2.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
tc_h_eigvectors.irp.f
Merge pull request #8 from QuantumPackage/dev-stable-tc-scf
2023-04-12 21:36:10 +02:00
tc_hmat.irp.f
tc provide problem solved
2023-04-01 22:06:32 +02:00
tc_natorb.irp.f
added tc spin density
2023-02-23 16:12:00 +01:00
tc_prop.irp.f
added tc spin density
2023-02-23 16:12:00 +01:00
tc_som.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
tc_utils.irp.f
print tc energy: OK
2023-04-05 15:59:38 +02:00
test_natorb.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
test_normal_order.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
test_s2_tc.irp.f
fixed bug in S2 for TC davidson
2023-04-12 18:43:44 +02:00
test_spin_dens.irp.f
added spin density
2023-02-24 21:38:09 +01:00
test_tc_bi_ortho.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00
test_tc_fock.irp.f
added tc_bi_ortho
2023-02-07 17:07:49 +01:00