eginer b7787f5e6d trying to speed up the PT2 in TC by transposing the array of tc integrals

2024-05-07 19:43:05 +02:00

..

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

dav_h_tc_s2.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

diagonalize_tc_h.irp.f

added tc_progs

2024-05-07 18:27:09 +02:00

e_corr_bi_ortho.irp.f

trying to speed up the PT2 in TC by transposing the array of tc integrals

2024-05-07 19:43:05 +02:00

EZFIO.cfg

TC SPRING CLEANING: BEGINNING

2024-05-01 20:25:01 +02:00

h_tc_u0.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

NEED

Begining to make some cleaning in TC

2024-04-25 19:48:17 +02:00

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

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.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_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_utils.irp.f

still not compiling

2024-05-06 18:33:29 +02:00

test_spin_dens.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00

TODO

added script_tc_jmu_h2o_gd_exc.sh

2024-03-15 17:10:22 +01:00

two_rdm_naive.irp.f

Moved many modules in plugins/local for quicker installation

2023-11-07 10:27:34 +01:00