LCPQ/quantum_package
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575 Commits 6 Branches 5 Tags 93 MiB
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575 Commits

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Author SHA1 Message Date
Thomas Applencourt
57f2050fb8 Move upgrade script into upgrade folder 2015-04-30 14:20:08 +02:00
Thomas Applencourt
281dd89c25 Move create script into create folder 2015-04-30 14:10:41 +02:00
Thomas Applencourt
c1c3285cec Move install script into install folder 2015-04-30 14:05:04 +02:00
Thomas Applencourt
14b50bf1eb Add docopt installation 2015-04-27 17:08:07 +02:00
Thomas Applencourt
33d8cc883f Merge branch 'master' of github.com:TApplencourt/quantum_package 2015-04-20 18:43:16 +02:00
Thomas Applencourt
bf997c5583 Add all the mising file... 2015-04-20 18:42:52 +02:00
Thomas Applencourt
b35f836af1 mend 2015-04-20 18:20:44 +02:00
Thomas Applencourt
d44ccfa274 mend 2015-04-20 18:20:26 +02:00
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
Anthony Scemama
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
Anthony Scemama
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
Anthony Scemama
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
Anthony Scemama
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
Anthony Scemama
47d913a9ce Fixed CAS-SD 2015-04-10 17:26:07 +02:00
Anthony Scemama
6ac88cf789 Forgot file 2015-04-10 11:06:33 +02:00
Anthony Scemama
44e4cbe4b3 Forgot file 2015-04-10 10:37:07 +02:00
Anthony Scemama
17126c779e Forgt EZFIO.cfg file 2015-04-10 00:45:09 +02:00
Anthony Scemama
8bb2c8c898 Removed debug in connected_to_ref.irp.f 2015-04-10 00:44:12 +02:00
Anthony Scemama
b5b211aaea MRCC is parallelized 2015-04-09 23:59:06 +02:00
Anthony Scemama
0f2bdedb90 Moves psi_cas in Dets 2015-04-09 22:32:25 +02:00