eginer
|
a38255cec9
|
added Hn.py
|
2023-03-28 12:43:15 +02:00 |
|
eginer
|
2ef2e8044d
|
added sort_wf.irp.f
|
2023-03-23 11:24:26 +01:00 |
|
eginer
|
a284f6f9d8
|
removed STUPID DAMN BUG in ordering of psi_selectors for TC
|
2023-03-14 23:49:38 +01:00 |
|
eginer
|
b2e43b7995
|
minor changes in documentations of mo_bi_orth_bipole
|
2023-02-27 11:44:35 +01:00 |
|
|
|
4b12d32a44
|
Fix submodule
|
2023-02-16 10:35:06 +01:00 |
|
eginer
|
8817145e27
|
minor modifs
|
2023-02-13 20:12:33 +01:00 |
|
|
|
70726f73ab
|
Updated dependencies + configure single branch
|
2023-02-08 13:30:59 +01:00 |
|
|
|
45e73b10ba
|
Fix warning in OCaml
|
2023-02-08 13:12:29 +01:00 |
|
eginer
|
17d8197a67
|
added ao_many_one_e_ints/ bi_ortho_mos/
|
2023-02-06 18:17:56 +01:00 |
|
|
|
0cf6d5c969
|
gitignore + removed old cray config file
|
2023-02-06 16:20:22 +01:00 |
|
|
|
c8109a1f51
|
Fixing tests
|
2022-08-29 15:45:09 +02:00 |
|
|
|
32b8663fa1
|
Update submodules
|
2022-01-31 17:23:08 +01:00 |
|
|
|
afb2210175
|
Fix error message in configure
|
2022-01-25 22:40:01 +01:00 |
|
|
|
8c39fffd4c
|
Upgrade to resultsFile v2.3
|
2021-12-20 19:05:13 +01:00 |
|
|
|
7edfd4e326
|
Fixed previous commit
|
2021-11-16 23:12:13 +01:00 |
|
|
|
b8c9836b74
|
Updated f77zmq
|
2021-11-16 19:22:54 +01:00 |
|
Emmanuel Giner
|
91937d5346
|
removed zero in b/src/dft_utils_func/on_top_from_ueg.irp.f
|
2021-09-22 17:39:06 +02:00 |
|
|
|
81d0e9e5ac
|
Removing faketty in configure
|
2021-07-07 17:44:15 +02:00 |
|
|
|
0eff94633d
|
Python directory
|
2021-07-05 19:45:58 +02:00 |
|
|
|
f4028103d3
|
Submodule
|
2021-07-05 19:44:44 +02:00 |
|
|
|
381ed6475a
|
Update dependencies
|
2021-07-05 19:43:07 +02:00 |
|
|
|
6773acac06
|
add qp2-dependencies
|
2021-07-05 18:15:26 +02:00 |
|
|
|
49fc21a9fa
|
configure
|
2021-07-05 16:53:34 +02:00 |
|
|
|
11f2bd400a
|
Simplified ocaml installation
|
2021-07-05 15:37:33 +02:00 |
|
|
|
48652bbe9d
|
Update EZFIO
|
2021-06-01 21:43:13 +02:00 |
|
|
|
e7ed682058
|
Added normalization factors for basis
|
2021-06-01 17:09:59 +02:00 |
|
|
|
d31d843535
|
Update EZFIO
|
2021-06-01 14:51:50 +02:00 |
|
|
|
bb0743ac1e
|
Updated IRPF90
|
2021-05-19 18:38:11 +02:00 |
|
|
|
f120fb8177
|
Irpf90 and EZIO as submodules
|
2020-12-06 21:27:28 +01:00 |
|
|
|
b14f9af26e
|
Added the GMP tar.gz to reduce pressure on GMP server.
|
2020-12-06 16:12:59 +01:00 |
|
|
|
bd162a119c
|
Better documentation
|
2020-12-06 15:58:48 +01:00 |
|
|
|
c35212d111
|
EZFIO
|
2020-12-06 15:19:26 +01:00 |
|
|
|
5683fff109
|
Update EZFIO
|
2020-08-03 22:08:29 +02:00 |
|
|
|
79f47d024b
|
First python3 3 working installation
|
2020-03-17 18:02:29 +01:00 |
|
|
|
a4331ec6e4
|
Merge branch 'dev' into features_python3
|
2020-03-17 16:15:47 +01:00 |
|
|
|
d7978912bd
|
Added the tgz of EZFIO for simplicity
|
2020-02-20 19:33:42 +01:00 |
|
|
|
c22daadf40
|
Moving to Python3.
|
2020-01-27 22:30:01 +01:00 |
|
|
|
0992b52dcf
|
Added error messages in davidson slave
|
2019-01-25 17:02:44 +01:00 |
|
|
|
eadc204b92
|
Added external directory
|
2019-01-25 16:39:19 +01:00 |
|
