| .. |
|
ao_extra_basis
|
fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
|
2024-12-16 19:01:31 +01:00 |
|
ao_many_one_e_ints
|
fixed bug for env_type = None
|
2024-01-17 19:23:24 +01:00 |
|
ao_tc_eff_map
|
hamiltonian -> jastrow
|
2024-01-15 19:02:05 +01:00 |
|
basis_correction
|
moved ao_one_e_integrals_from_mo into mo_one_e_ints
|
2024-11-20 18:26:27 +01:00 |
|
bi_ort_ints
|
2e-noL with CUDA
|
2024-08-08 23:41:03 +02:00 |
|
bi_ortho_mos
|
Optim in int2_grad1_u12_bimo_t
|
2024-08-08 12:47:47 +02:00 |
|
casscf_tc_bi
|
Moved many modules in plugins/local for quicker installation
|
2023-11-07 10:27:34 +01:00 |
|
cipsi_tc_bi_ortho
|
starting jpsiking
|
2024-09-08 18:45:15 +02:00 |
|
extra_basis_int
|
fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
|
2024-12-16 19:01:31 +01:00 |
|
extra_nuclei
|
fixed the Input_ao_extra_basis.ml and beginning to work on extra_basis
|
2024-12-16 19:01:31 +01:00 |
|
fci_tc_bi
|
fixed some weird dependencies in TC, introduced an AO cholesky 2e function
|
2024-07-16 17:44:48 +02:00 |
|
gpu_intel
|
Fix link stage for intel gpus
|
2024-07-09 23:04:22 +02:00 |
|
gpu_nvidia
|
Finished r1
|
2024-07-03 18:24:13 +02:00 |
|
gpu_x86
|
Finished r1
|
2024-07-03 18:24:13 +02:00 |
|
jastrow
|
starting jpsiking
|
2024-09-08 18:45:15 +02:00 |
|
mo_localization
|
Begining to make some cleaning in TC
|
2024-04-25 19:48:17 +02:00 |
|
non_h_ints_mu
|
fixed dependencies in jastrow and mu_of_r
|
2024-09-09 12:23:18 +02:00 |
|
non_hermit_dav
|
TC-SCF CLEANED
|
2024-05-01 23:10:18 +02:00 |
|
normal_order_old
|
fixed forgotten stuffs in normal_order_old/NEED
|
2024-05-21 12:26:30 +02:00 |
|
old_delta_tc_qmc
|
compiling after some cleaning
|
2024-05-06 18:58:12 +02:00 |
|
ortho_three_e_ints
|
TC SPRING CLEANING: BEGINNING
|
2024-05-01 20:25:01 +02:00 |
|
qmckl
|
Fixing compilation
|
2023-11-07 11:12:10 +01:00 |
|
slater_tc
|
remove double counting of nuclear repulsion
|
2024-08-27 15:23:42 +02:00 |
|
slater_tc_no_opt
|
compiling after some cleaning
|
2024-05-06 18:58:12 +02:00 |
|
spher_harm
|
beginning to put cholesky in CASSCF
|
2024-07-11 13:57:28 +02:00 |
|
tc_bi_ortho
|
Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable
|
2024-08-08 11:40:02 +02:00 |
|
tc_int
|
Add rm -f in uninstall plugin
|
2024-09-18 16:44:33 +02:00 |
|
tc_keywords
|
new attempt of mu(r)
|
2024-08-27 15:24:46 +02:00 |
|
tc_progs
|
minor modifs
|
2024-05-21 13:01:48 +02:00 |
|
tc_scf
|
Removed dupicate provider
|
2024-12-17 10:47:31 +01:00 |
|
tuto_plugins
|
added extra basis
|
2024-12-04 15:58:59 +01:00 |
|
.gitignore
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
