| .. |
|
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
|
added sparse cholesky mu_of_r
|
2024-05-23 14:45:33 +02:00 |
|
bi_ort_ints
|
working on the matrix elements both
|
2024-05-07 20:32:48 +02:00 |
|
bi_ortho_mos
|
saving olympe2 modif
|
2024-04-07 00:29:40 +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
|
fixed some weird dependencies in TC, introduced an AO cholesky 2e function
|
2024-07-16 17:44:48 +02:00 |
|
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
|
few modif
|
2024-02-23 23:51:03 +01:00 |
|
mo_localization
|
Begining to make some cleaning in TC
|
2024-04-25 19:48:17 +02:00 |
|
non_h_ints_mu
|
WORKING ON DEBUG CUDA-INTEG
|
2024-08-01 10:05:47 +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
|
fixed some weird dependencies in TC, introduced an AO cholesky 2e function
|
2024-07-16 17:44:48 +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
|
removed prints in plugins/local/tc_bi_ortho/tc_h_eigvectors.irp.f
|
2024-05-22 17:32:56 +02:00 |
|
tc_int
|
cuda tc-integrals tested
|
2024-08-03 18:08:23 +02:00 |
|
tc_keywords
|
removed stupid print in tc_keywords/EZFIO.cfg
|
2024-05-23 10:02:46 +02:00 |
|
tc_progs
|
minor modifs
|
2024-05-21 13:01:48 +02:00 |
|
tc_scf
|
minor modifs
|
2024-05-21 13:01:48 +02:00 |
|
tuto_plugins
|
fixed a bug in cholesk_ao_transp
|
2024-05-15 15:41:35 +02:00 |
|
.gitignore
|
Develop (#15)
|
2019-03-07 16:29:06 +01:00 |
