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Commit Graph

567 Commits

Author SHA1 Message Date
Thomas Applencourt
67a44ee43c Add all the mising file... 2015-04-20 18:18:32 +02:00
Thomas Applencourt
952e3f2954 Update README.rst 2015-04-20 16:58:16 +02:00
Thomas Applencourt
242f7b0612 Add H_apply_template.f 2015-04-20 16:46:16 +02:00
Thomas Applencourt
dcd4017cb9 Fix conflict 2015-04-20 16:08:19 +02:00
Thomas Applencourt
3e2a3dfe0e Put ezfio_filanme in output_ 2015-04-20 15:41:19 +02:00
Thomas Applencourt
3b59fca0c7 Add EZFIO.cfg in determinants 2015-04-20 15:20:38 +02:00
Thomas Applencourt
78d42e2455 Add ezfio_dir to optional keyword in EZFIO.cfg 2015-04-20 09:48:38 +02:00
Thomas Applencourt
db558258b2 Remove WILL be DELETED and change ezfio_with_default in concequance 2015-04-20 09:11:12 +02:00
Thomas Applencourt
b331b015dc Merge pull request #9 from LCPQ/master
Merge before need qp_convert*
2015-04-20 09:00:03 +02:00
Anthony Scemama
0ab2d0aa48 Merge pull request #59 from scemama/master
Solves True/true problem
2015-04-19 17:18:30 +02:00
030c89b957 Solved True/true problem 2015-04-19 16:45:31 +02:00
Thomas Applencourt
d45e611dad Print is_bool() to debug in travis ci, canot see the bug in my machine 2015-04-16 14:31:28 +02:00
Thomas Applencourt
654b190506 stirp to strip() 2015-04-16 13:57:00 +02:00
Thomas Applencourt
74c9e03e2a Try to solve the 'Bool.of_string: expected true or false but got True' 2015-04-16 13:35:29 +02:00
Thomas Applencourt
d71be0bb7c Add qp_convert_from_output to test 2015-04-16 11:34:26 +02:00
Thomas Applencourt
374c2c003c Rename qp_convert and major cleaning in it 2015-04-16 10:59:45 +02:00
Thomas Applencourt
989fd4bc07 Add qp_convert_ezfio_v1_to_v2.sh 2015-04-14 09:54:04 +02:00
2b4f760e34 Accelerated spindeterminants 2015-04-14 02:00:58 +02:00
Anthony Scemama
38716d2e88 Merge pull request #7 from LCPQ/master
Merge with V2
2015-04-13 23:50:51 +02:00
Thomas Applencourt
cff8f0f56f Merge pull request #56 from TApplencourt/master
Fix gitignore and update_readme
2015-04-13 18:36:52 +02:00
Thomas Applencourt
323da5e449 Get IRP from LCPQ 2015-04-13 13:21:58 +02:00
Thomas Applencourt
e740bfa8bc Fixing .gitignore 2015-04-13 13:19:54 +02:00
Thomas Applencourt
5947026af0 Fix update_README.py 2015-04-13 10:55:48 +02:00
Thomas Applencourt
4cd77e1ec8 HOT FIX for the bug 2015-04-13 10:23:03 +02:00
Thomas Applencourt
e4b4871cb5 Remove fancy_type pickled when Make veryclean is call 2015-04-13 09:57:17 +02:00
Thomas Applencourt
92ce14a9b0 true -> True for the convention 2015-04-13 09:51:36 +02:00
Thomas Applencourt
db30bb8ec4 ezfio_v1_to_v2.py 2015-04-13 09:41:33 +02:00
38c10bd390 psi_svd_matrix built in parallel 2015-04-11 13:13:44 +02:00
Thomas Applencourt
98dfd4c8ec Merge pull request #7 from LCPQ/master
Merge v2 (bug from test) Need to solve
2015-04-10 19:48:31 +02:00
Thomas Applencourt
4d44c1b46d Merge pull request #52 from scemama/master
Accept cause Sooner is beter.
 Will fix the test bug on monday.
2015-04-10 19:47:06 +02:00
7d7626df53 Cleaning 2015-04-10 19:32:35 +02:00
Anthony Scemama
b4f7bc3724 Merge pull request #6 from TApplencourt/master
Merge thomas
2015-04-10 19:07:50 +02:00
Thomas Applencourt
0e9f78d51d Merge #2 2015-04-10 18:13:06 +02:00
Thomas Applencourt
6958490a02 Merge 2015-04-10 18:10:03 +02:00
Thomas Applencourt
1abca0aa68 Trying to merge 2015-04-10 18:05:47 +02:00
47d913a9ce Fixed CAS-SD 2015-04-10 17:26:07 +02:00
6ac88cf789 Forgot file 2015-04-10 11:06:33 +02:00
44e4cbe4b3 Forgot file 2015-04-10 10:37:07 +02:00
17126c779e Forgt EZFIO.cfg file 2015-04-10 00:45:09 +02:00
8bb2c8c898 Removed debug in connected_to_ref.irp.f 2015-04-10 00:44:12 +02:00
b5b211aaea MRCC is parallelized 2015-04-09 23:59:06 +02:00
0f2bdedb90 Moves psi_cas in Dets 2015-04-09 22:32:25 +02:00
99e63935d4 MRCC works 2015-04-09 21:46:37 +02:00
102bbb0b4f Lots of minor fixes 2015-04-09 21:46:28 +02:00
Thomas Applencourt
4ea60695ea Add Patch requirement for OPEM 2015-04-09 14:03:24 +02:00
dd1a51af63 CAS-SD and CAS-SD selected 2015-04-09 10:57:15 +02:00
Thomas Applencourt
d92047176e Merge pull request #5 from scemama/master
Merge for error
2015-04-07 17:06:47 +02:00
dcd9310033 Solved problem with lowercases 2015-04-07 10:50:37 +02:00
9b2324ae51 Solved problem with lowercases 2015-04-07 10:17:38 +02:00
fe3c2bb875 Minor changes 2015-04-03 14:26:14 +02:00