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mirror of https://github.com/QuantumPackage/qp2.git synced 2024-10-06 08:05:58 +02:00
qp2/src/tc_bi_ortho
eginer db0c198788
Some checks reported errors
continuous-integration/drone/push Build was killed
merged with debug-fci-tc
2023-03-16 14:08:57 +01:00
..
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
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
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_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 added tc_bi_ortho 2023-02-07 17:07:49 +01:00
psi_r_l_prov.irp.f fixed the bug of misalignement between coefs and determinants in fci_tc_bi_ortho 2023-03-16 14:00:21 +01:00
save_bitcpsileft_for_qmcchem.irp.pouet added 2023-02-07 17:24:09 +01:00
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 the bug of misalignement between coefs and determinants in fci_tc_bi_ortho 2023-03-16 14:00:21 +01:00
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 merged with debug-fci-tc 2023-03-16 14:08:57 +01:00
tc_hmat.irp.f added tc_bi_ortho 2023-02-07 17:07:49 +01:00
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
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_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
u0_h_u0.irp.f removed STUPID DAMN BUG in ordering of psi_selectors for TC 2023-03-14 23:49:38 +01:00