TApplencourt
|
3b132a5d89
|
Add install_bats script
|
2015-10-28 14:49:12 +01:00 |
|
TApplencourt
|
e09b749892
|
Install bats
|
2015-10-28 14:46:19 +01:00 |
|
TApplencourt
|
3f2ac415c6
|
Add test
|
2015-10-28 13:51:11 +01:00 |
|
Yann Garniron
|
48c91aeda7
|
Merge branch 'master' of https://github.com/garniron/quantum_package
Conflicts:
plugins/MRCC_Utils/README.rst
plugins/MRCC_Utils/mrcc_dress.irp.f
src/Determinants/README.rst
src/Determinants/davidson.irp.f
|
2015-10-26 08:31:44 +01:00 |
|
Yann Garniron
|
cad30f56f9
|
connected_to_ref
|
2015-10-25 21:23:12 +01:00 |
|
Yann Garniron
|
d1c1ae8cb4
|
connected_to_ref
|
2015-10-23 17:10:04 +02:00 |
|
Thomas Applencourt
|
92e2ab1c40
|
Merge pull request #107 from garniron/master
filter_connected_davidson sans proxy
|
2015-10-23 14:12:46 +02:00 |
|
Yann Garniron
|
0232df92af
|
Merging and update doc
|
2015-10-23 10:00:24 +02:00 |
|
Yann Garniron
|
48bc50d543
|
Merge branch 'LCPQ-master'
|
2015-10-23 09:52:39 +02:00 |
|
Yann Garniron
|
acaa0c7636
|
Merging
|
2015-10-23 09:51:43 +02:00 |
|
Yann Garniron
|
47cc54f668
|
filter_connected_davidson sans proxy
|
2015-10-22 11:24:04 +02:00 |
|
Yann Garniron
|
9186be8c56
|
tri alpha/beta simple pour filter_connected_davidson
|
2015-10-22 11:10:20 +02:00 |
|
Yann Garniron
|
b6000270ca
|
tri alpha/beta simple pour filter_connected_davidson
|
2015-10-21 15:50:15 +02:00 |
|
|
|
3916394328
|
Bug corrected
|
2015-10-19 20:14:47 +02:00 |
|
|
|
5470e05913
|
Added target_pt2_qmc
|
2015-10-19 17:28:08 +02:00 |
|
|
|
9107aee5ac
|
Merge branch 'master' of https://github.com/LCPQ/quantum_package
|
2015-10-17 16:20:15 +02:00 |
|
|
|
adbfd7c90e
|
bit_kind
|
2015-10-17 16:19:50 +02:00 |
|
Anthony Scemama
|
26f5d4fdd1
|
Update gfortran.cfg
|
2015-10-17 15:59:22 +02:00 |
|
|
|
efe8cbe28d
|
Sort gitignore in ocaml
|
2015-10-17 15:54:29 +02:00 |
|
|
|
fa8a983681
|
Removed -mavx
|
2015-10-17 15:50:17 +02:00 |
|
|
|
e01ac55470
|
Bug in pseudo
|
2015-10-17 15:01:15 +02:00 |
|
|
|
5409607372
|
Accelerated pseudopotentials
|
2015-10-17 02:19:36 +02:00 |
|
|
|
1363b436e3
|
Accelerated pseudopotentials
|
2015-10-16 14:33:57 +02:00 |
|
|
|
e28de8a15e
|
Merge branch 'master' of https://github.com/garniron/quantum_package into garniron-master
Conflicts:
ocaml/.gitignore
plugins/CAS_SD/README.rst
plugins/Full_CI/README.rst
plugins/MRCC_Utils/README.rst
plugins/Perturbation/README.rst
src/Determinants/README.rst
src/Ezfio_files/README.rst
|
2015-10-16 13:55:32 +02:00 |
|
Yann Garniron
|
4af7cf1104
|
minilist simple pour mrcc_dress
|
2015-10-16 13:14:19 +02:00 |
|
Yann Garniron
|
bbbc72341a
|
minilist primitive/tri par alpha en cours
|
2015-10-16 13:06:19 +02:00 |
|
|
|
57b9f1d0c2
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2015-10-13 09:27:14 +02:00 |
|
TApplencourt
|
210651eaca
|
English
|
2015-10-08 13:16:09 +02:00 |
|
TApplencourt
|
1049a62768
|
Merge branch 'LCPQ-master'
|
2015-10-08 13:11:05 +02:00 |
|
TApplencourt
|
098b796f4a
|
Fix conflic
|
2015-10-08 13:10:52 +02:00 |
|
TApplencourt
|
d56f2d572f
|
Add g++ for ninja compilation
|
2015-10-08 13:08:23 +02:00 |
|
Anthony Scemama
|
3aeed2f855
|
Merge pull request #103 from scemama/master
English corrected
|
2015-10-07 21:16:06 +02:00 |
|
|
|
e32fa56bc2
|
English
|
2015-10-06 20:54:10 +02:00 |
|
|
|
dc3cfb9dbd
|
English
|
2015-10-06 15:33:11 +02:00 |
|
Anthony Scemama
|
53738c8355
|
Merge pull request #102 from garniron/master
Fix typo
|
2015-10-05 14:44:01 +02:00 |
|
Yann Garniron
|
59a2d2a56d
|
Fix typo
|
2015-10-05 14:27:18 +02:00 |
|
TApplencourt
|
f4c03bffe2
|
Fix some ezfio path
|
2015-09-30 13:47:22 +02:00 |
|
TApplencourt
|
ebb3d391bd
|
qp_install_module -> qp_module
|
2015-09-30 13:36:53 +02:00 |
|
TApplencourt
|
5dc7810bde
|
Fix ezfio path and ocaml version
|
2015-09-30 13:19:45 +02:00 |
|
Thomas Applencourt
|
9eae6e0d9c
|
Merge pull request #27 from LCPQ/master
Merging
|
2015-09-30 13:17:43 +02:00 |
|
|
|
21f18406b7
|
Integrals goind from Write to Read
|
2015-09-22 13:42:23 +02:00 |
|
|
|
f04e6619a5
|
Memory allocation bug in Huckel guess corrected
|
2015-09-22 13:35:42 +02:00 |
|
|
|
8b8946f1e3
|
OpenMP reduction bug for large systems solved
|
2015-09-22 13:05:42 +02:00 |
|
|
|
6476d432be
|
Added EZFIO.cfg for CISD
|
2015-09-22 09:47:07 +02:00 |
|
|
|
3ca25bc422
|
Merge branch 'master' of lpqlx139:quantum_package
|
2015-09-22 09:36:41 +02:00 |
|
|
|
914e88e366
|
Cleaned gitignore
|
2015-09-22 09:36:31 +02:00 |
|
|
|
787d58cfc9
|
Error in bash scripts
|
2015-09-22 09:08:26 +02:00 |
|
|
|
8731ba6748
|
Error in bash script
|
2015-09-22 09:07:34 +02:00 |
|
|
|
13ce974ee4
|
Corrected bug to read/write ao integrals
|
2015-09-19 15:05:28 +02:00 |
|
|
|
c910257927
|
Tests OK again.
|
2015-09-19 02:00:26 +02:00 |
|
