eginer
|
9abc0c996a
|
mv tuto_plugins in local
|
2024-03-25 17:00:14 +01:00 |
|
eginer
|
64523de3ae
|
minor modifs in cipsi_tc_bi_ortho/selection.irp.f
|
2024-03-22 18:33:17 +01:00 |
|
eginer
|
e0af6d8425
|
added properly the first tuto!
continuous-integration/drone/push Build is failing
|
2024-03-22 17:29:32 +01:00 |
|
eginer
|
dd2f0a2c07
|
added the introduction to the plugins tutorial
|
2024-03-22 16:30:08 +01:00 |
|
eginer
|
8e6894b7bd
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing
|
2024-03-22 14:57:04 +01:00 |
|
eginer
|
9d3743e530
|
added some providers and the first tutorial for plugins
|
2024-03-22 14:56:39 +01:00 |
|
eginer
|
7bc6b88854
|
added H2.xyz in tuto_plugins
|
2024-03-21 15:31:23 +01:00 |
|
eginer
|
1fd93d76b6
|
working on the tuto
|
2024-03-21 15:31:06 +01:00 |
|
|
|
c63b69e8da
|
Fixing ReadtheDocs
continuous-integration/drone/push Build is failing
|
2024-03-20 16:12:34 +01:00 |
|
|
|
df9299c661
|
Updated documentation
|
2024-03-20 16:06:44 +01:00 |
|
|
|
f3a3c3ee63
|
Merge branch 'master' into dev-stable
|
2024-03-20 15:03:37 +01:00 |
|
|
|
70a203d9e5
|
Merge pull request #323 from kgasperich/ormas-clean
ORMAS implementation
|
2024-03-20 14:55:17 +01:00 |
|
|
|
7aff1a33a9
|
Fixed nested parallelism in cholesky
continuous-integration/drone/push Build is failing
|
2024-03-20 09:20:21 +01:00 |
|
|
|
1839809432
|
Introduced all_shells_closed
|
2024-03-20 09:20:11 +01:00 |
|
AbdAmmar
|
83ed57312d
|
few modif in ao tc integ
|
2024-03-19 17:23:41 +01:00 |
|
Kevin Gasperich
|
65d7ca1aa2
|
Merge branch 'master' into ormas-clean
|
2024-03-19 11:08:38 -05:00 |
|
|
|
00859876d5
|
Fixed read/write in qp_edit
continuous-integration/drone/push Build is failing
|
2024-03-18 17:53:22 +01:00 |
|
|
|
a29c67a738
|
Implemented #322
continuous-integration/drone/push Build is failing
|
2024-03-16 15:21:40 +01:00 |
|
|
|
fdd6392d57
|
Merge branch 'dev-stable' of github.com:QuantumPackage/qp2 into dev-stable
continuous-integration/drone/push Build is failing
|
2024-03-15 18:19:08 +01:00 |
|
|
|
0a8d57abd9
|
Accelerated BH Jastrow
|
2024-03-15 18:19:00 +01:00 |
|
eginer
|
a8de10987f
|
added script_tc_jmu_h2o_gd_exc.sh
|
2024-03-15 17:10:22 +01:00 |
|
eginer
|
cb8c823a2c
|
added script_tc_bh_h2o_gd_exc.sh in fci_tc_bi
|
2024-03-15 16:27:02 +01:00 |
|
eginer
|
cfdaf722df
|
added the keyword to minimize tc angles at the end of TC SCF
|
2024-03-15 15:40:18 +01:00 |
|
eginer
|
88cf5d23f1
|
changed print_tc_wf
continuous-integration/drone/push Build is failing
|
2024-03-13 11:20:03 +01:00 |
|
AbdAmmar
|
1dbde56439
|
O(N4) -> O(N3) transformations
|
2024-03-13 07:04:54 +01:00 |
|
eginer
|
a56488e3a8
|
fci_tc_bi_ortho works for multi state ninja
continuous-integration/drone/push Build is failing
|
2024-03-12 18:23:09 +01:00 |
|
eginer
|
fdc418d72a
|
fixed print in TC
|
2024-03-12 17:45:50 +01:00 |
|
eginer
|
28912ce5ca
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-12 17:38:38 +01:00 |
|
|
|
0618372b29
|
Commented out select_singles in TC
continuous-integration/drone/push Build is failing
|
2024-03-12 17:38:30 +01:00 |
|
eginer
|
e059c9b734
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-12 17:32:46 +01:00 |
|
|
|
37588e5207
|
Add NEED in generators_full_tc
|
2024-03-12 17:32:38 +01:00 |
|
eginer
|
b088a78fef
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-12 17:32:05 +01:00 |
|
|
|
6b7f2411b1
|
Add NEED in cipsi_utils
|
2024-03-12 17:31:49 +01:00 |
|
eginer
|
fee83210a7
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-12 17:29:44 +01:00 |
|
|
|
f816773102
|
Refactor CIPSI / TC-CIPSI
|
2024-03-12 17:27:43 +01:00 |
|
eginer
|
a42c79ca34
|
The test works for fci_tc_bi but not for tc_bi_ortho
|
2024-03-12 17:09:58 +01:00 |
|
eginer
|
1769efddca
|
fixed the qp_test of tc_scf
|
2024-03-12 16:52:53 +01:00 |
|
|
|
9a15fecd6a
|
Merging CIPSI and TC-CIPSI
|
2024-03-12 16:42:08 +01:00 |
|
|
|
0ef067337d
|
Introducing cipsi_utils for CIPSI and TC-CIPSI
|
2024-03-12 16:37:52 +01:00 |
|
eginer
|
6e35f8f8f8
|
fixed n_states > 1 for TC
|
2024-03-12 15:30:52 +01:00 |
|
eginer
|
9175fb21c9
|
modifs in json and diagonalize_ci for fci tc bi
|
2024-03-12 14:05:38 +01:00 |
|
AbdAmmar
|
c3c7c69853
|
Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable
|
2024-03-11 10:22:07 +01:00 |
|
AbdAmmar
|
d405aea957
|
few mom opt
|
2024-03-11 10:21:59 +01:00 |
|
eginer
|
2ea789bee9
|
removed STUPID stop in save_tc_natorb
continuous-integration/drone/push Build is failing
|
2024-03-08 17:25:48 +01:00 |
|
Abdallah Ammar
|
0c2f912497
|
Merge branch 'dev-stable' of https://github.com/AbdAmmar/qp2 into dev-stable
|
2024-03-07 07:35:03 +01:00 |
|
Abdallah Ammar
|
eaab1b8064
|
few modif for HHG
|
2024-03-07 07:34:59 +01:00 |
|
eginer
|
89aaf30460
|
removed stupid print in fci
continuous-integration/drone/push Build is failing
|
2024-03-05 19:18:04 +01:00 |
|
eginer
|
ee4074b3a9
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-05 17:45:16 +01:00 |
|
Emmanuel Giner
|
df2d43d51c
|
Merge pull request #321 from AbdAmmar/dev-stable
Dev stable
|
2024-03-05 17:45:06 +01:00 |
|
eginer
|
9a9e2cc049
|
Merge branch 'dev-stable' of https://github.com/QuantumPackage/qp2 into dev-stable
|
2024-03-05 17:24:31 +01:00 |
|
