eginer 31028f8979 fixed some weird dependencies in TC, introduced an AO cholesky 2e function

2024-07-16 17:44:48 +02:00

..

scripts_fci_tc

Moved many modules in plugins/local for quicker installation

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

13.fci_tc_bi_ortho.bats

Moved many modules in plugins/local for quicker installation

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

class.irp.f

Moved many modules in plugins/local for quicker installation

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

copy_wf.irp.f

Moved many modules in plugins/local for quicker installation

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

diagonalize_ci.irp.f

fci_tc_bi_ortho works for multi state ninja

2024-03-12 18:23:09 +01:00

EZFIO.cfg

Moved many modules in plugins/local for quicker installation

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

fci_tc_bi_ortho.irp.f

fixed some weird dependencies in TC, introduced an AO cholesky 2e function

2024-07-16 17:44:48 +02:00

NEED

Introducing cipsi_utils for CIPSI and TC-CIPSI

2024-03-12 16:37:52 +01:00

pt2_tc.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

save_energy.irp.f

Moved many modules in plugins/local for quicker installation

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

script_tc_bh_h2o_gd_exc.sh

added script_tc_bh_h2o_gd_exc.sh in fci_tc_bi

2024-03-15 16:27:02 +01:00

script_tc_jmu_h2o_gd_exc.sh

added script_tc_jmu_h2o_gd_exc.sh

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

selectors.irp.f

Introducing cipsi_utils for CIPSI and TC-CIPSI

2024-03-12 16:37:52 +01:00

zmq.irp.f

Moved many modules in plugins/local for quicker installation

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