Thomas Applencourt
|
740c746b9c
|
Debuging travis
|
2015-07-16 10:49:25 +02:00 |
|
Thomas Applencourt
|
c7c9243c21
|
Fix README and graphiz
|
2015-07-16 10:40:57 +02:00 |
|
Thomas Applencourt
|
21d5f63841
|
Add dot_parser.py
|
2015-07-16 08:59:43 +02:00 |
|
Thomas Applencourt
|
15cf4e48ee
|
Add FAQ into README
|
2015-07-15 14:31:48 +02:00 |
|
Emmanuel Giner
|
cd95492768
|
Merge pull request #3 from LCPQ/master
merge
|
2015-07-15 14:16:17 +02:00 |
|
Manu
|
a08101a3b7
|
Pull ok
|
2015-07-15 14:04:56 +02:00 |
|
Manu
|
0b3f0e4af6
|
Trying to pull
|
2015-07-15 14:02:13 +02:00 |
|
Manu
|
b39c118b86
|
Minor modiffs (2)
|
2015-07-15 14:01:43 +02:00 |
|
Manu
|
69250d7a2e
|
Minor modiffs
|
2015-07-15 14:01:06 +02:00 |
|
Thomas Applencourt
|
447b3b3523
|
Merge pull request #95 from TApplencourt/master
New travis
|
2015-07-15 13:25:46 +02:00 |
|
Thomas Applencourt
|
b4c45f154a
|
Maj .gitignore HF
|
2015-07-15 11:21:05 +02:00 |
|
Thomas Applencourt
|
7eee7cc36d
|
Maj .gitignore HF
|
2015-07-15 11:17:00 +02:00 |
|
Thomas Applencourt
|
a427f27f3a
|
Merge tag 'fix_new_module_tag_error' into develop
Clean before unistall
|
2015-07-15 11:01:16 +02:00 |
|
Thomas Applencourt
|
71c3500318
|
Merge branch 'hotfix/fix_new_module_tag_error'
|
2015-07-15 11:00:38 +02:00 |
|
Thomas Applencourt
|
5bfc28b1f7
|
When uninstall module cleaning fist
|
2015-07-15 11:00:23 +02:00 |
|
Thomas Applencourt
|
2bd6a05beb
|
Try new travis
|
2015-07-15 09:50:51 +02:00 |
|
|
|
b6d8531583
|
Accelerated S^2
|
2015-07-14 01:06:28 +02:00 |
|
Emmanuel Giner
|
d9ebed61db
|
Merge pull request #2 from scemama/master
MRCC utils
|
2015-07-13 18:31:05 +02:00 |
|
|
|
4dbe5dcd5d
|
read_wf has to be true for mrcc
|
2015-07-13 18:26:34 +02:00 |
|
|
|
0228909819
|
Renamed mrcc in mrcc_cassd
|
2015-07-13 18:05:19 +02:00 |
|
|
|
05124ab5d4
|
Cleaned MRCC in MRCC_Utils
|
2015-07-13 18:00:38 +02:00 |
|
Manu
|
cc89da9db3
|
minor modiff in bitmasks.irp.f
|
2015-07-13 14:55:06 +02:00 |
|
|
|
70423eb4f0
|
Corrected bug for CO2 in pseudopotentials
|
2015-07-07 16:25:17 +02:00 |
|
Thomas Applencourt
|
63055bbbce
|
Beter doc
|
2015-07-06 14:18:11 +02:00 |
|
Anthony Scemama
|
dd30c6ce74
|
Merge pull request #93 from scemama/master
Working MRCC, sorted .gitignore and $QP_ROOT in comments
|
2015-07-04 00:17:02 +02:00 |
|
|
|
58ada7058f
|
Sort gitignore to avoid stupid conflicts
|
2015-07-04 00:11:06 +02:00 |
|
|
|
01418be1c7
|
Merge branch 'master' of https://github.com/eginer/quantum_package into eginer-master
Conflicts:
ocaml/.gitignore
plugins/CAS_SD/.gitignore
plugins/CAS_SD/README.rst
plugins/Full_CI/.gitignore
plugins/Full_CI/README.rst
plugins/Hartree_Fock/.gitignore
plugins/MRCC/.gitignore
plugins/MRCC/README.rst
plugins/MRCC/mrcc_utils.irp.f
plugins/Molden/.gitignore
plugins/Molden/tree_dependency.png
src/Determinants/.gitignore
src/Determinants/README.rst
src/Ezfio_files/README.rst
src/Integrals_Monoelec/.gitignore
src/MOGuess/.gitignore
|
2015-07-03 23:56:32 +02:00 |
|
Manu
|
12e81de1c7
|
MRCC converges with tiny matrixes
|
2015-07-03 19:19:44 +02:00 |
|
Manu
|
fb1e97ce1a
|
bug in mrcc with tiny matrix for the dressing
|
2015-07-03 18:50:07 +02:00 |
|
|
|
0aff5aa468
|
Pseudo-Corrected NaN in pseudo-potentials
|
2015-07-03 15:42:12 +02:00 |
|
Thomas Applencourt
|
cccc90ea1e
|
Re add EZFIO_file/README.rst
|
2015-07-03 15:40:25 +02:00 |
|
Thomas Applencourt
|
23f03e252e
|
Fix #92
|
2015-07-03 15:07:24 +02:00 |
|
|
|
72dbdff2c6
|
Add truncate_wf in Determinants
|
2015-07-03 14:55:09 +02:00 |
|
|
|
cc744730db
|
Cleaned MRCC
|
2015-07-03 14:42:55 +02:00 |
|
Anthony Scemama
|
8b9a3d6507
|
Merge pull request #17 from LCPQ/master
Working MRCC
|
2015-07-03 14:37:59 +02:00 |
|
Thomas Applencourt
|
028b56d040
|
Remove Ezfio_files/README.rst to git. Change to many time
|
2015-07-03 14:32:22 +02:00 |
|
Thomas Applencourt
|
15a7b0e367
|
Merge pull request #91 from TApplencourt/master
Fix update Readme
|
2015-07-03 14:21:36 +02:00 |
|
Thomas Applencourt
|
85c6ed2d12
|
Fix doc never remake
|
2015-07-03 13:37:10 +02:00 |
|
Thomas Applencourt
|
adc82bb35e
|
Maj the doc for loc_cele
|
2015-07-03 12:40:48 +02:00 |
|
Thomas Applencourt
|
f93eeac8e2
|
Realy fix #84
|
2015-07-03 12:35:24 +02:00 |
|
Thomas Applencourt
|
e91c676dd6
|
Merge pull request #24 from LCPQ/master
Merge with eginer
|
2015-07-03 12:24:01 +02:00 |
|
Thomas Applencourt
|
09da801b1d
|
Fix #87
|
2015-07-03 12:18:02 +02:00 |
|
Thomas Applencourt
|
3d37e2895d
|
Merge pull request #90 from eginer/master
mrcc (var) is ok
|
2015-07-03 12:14:53 +02:00 |
|
Manu
|
517c1a14ac
|
MRCC(Var) converges
|
2015-07-03 11:49:07 +02:00 |
|
Thomas Applencourt
|
c1d57e354f
|
Rename in ddci
|
2015-07-03 11:03:12 +02:00 |
|
Thomas Applencourt
|
ef82cdf124
|
Remove 100 ligne, now generated by AO_Basis/EZFIO.cfg
|
2015-07-03 10:35:17 +02:00 |
|
Thomas Applencourt
|
5b24f53ab6
|
Workaround for ezfio bug
|
2015-07-02 18:51:08 +02:00 |
|
Thomas Applencourt
|
a94d3e0e95
|
AO provider
|
2015-07-02 16:52:34 +02:00 |
|
Thomas Applencourt
|
19ec3a7d3c
|
Move electrons_ezfio.confing into EZFIO.cfg
|
2015-07-02 16:00:59 +02:00 |
|
Thomas Applencourt
|
30dcb63621
|
Move aos_ezfio.confing into EZFIO.cfg
|
2015-07-02 15:55:57 +02:00 |
|
