LCPQ/quantum_package
10
0
Fork 0
mirror of https://github.com/LCPQ/quantum_package synced 2024-11-03 20:54:00 +01:00
Code Issues Releases Wiki Activity
2,256 Commits 6 Branches 5 Tags 93 MiB
8288437ae6
Commit Graph

90 Commits

Author SHA1 Message Date
Anthony Scemama
98f3692f4c Merged scemama-master 2017-04-20 19:18:16 +02:00
Anthony Scemama
a2750bb55c Revert "merge with main branch" 2017-04-20 08:48:06 +02:00
Emmanuel Giner
03c50ebd2f merged with toto 2017-04-13 16:27:08 +02:00
Anthony Scemama
06efe7ca16 Added -state option to qp_edit 2017-04-12 14:46:12 +02:00
Anthony Scemama
51cff0d890 Truncate wave function with -ndet flag of qp_edit 2017-04-12 13:15:44 +02:00
Anthony Scemama
4715857b07 Pseudo is read from resultsFile 2017-04-11 16:47:16 +02:00
Thomas Applencourt
6185049a20 Merge branch 'master' into master 2017-01-19 16:10:32 -06:00
Thomas Applencourt
16f43222f2 Update qp_convert_output_to_ezfio.py 2016-11-17 10:47:43 -06:00
Thomas Applencourt
2dc3eea92b Update qp_convert_output_to_ezfio.py 2016-11-17 10:32:36 -06:00
TApplencourt
90418ec728 Working pseudo 2016-11-08 15:29:35 -06:00
TApplencourt
be6cef694c Add pseudo to qp_convert 2016-11-08 11:40:55 -06:00
Anthony Scemama
c2ccbad730 Repaired broken tests 2016-10-06 17:00:20 +02:00
Anthony Scemama
61daec6ee6 Removed all libint stuff 2016-06-03 11:12:41 +02:00
Anthony Scemama
330de7b32f H with pseudo doesnt segfault 2016-05-10 18:38:54 +02:00
Anthony Scemama
078ee95e12 Bug in ei_handler 2016-05-04 16:14:59 +02:00
Anthony Scemama
0a226a83f1 Not working 2016-04-16 22:25:35 +02:00
Anthony Scemama
d6b970e8a7 Auto-generation of libint required files 2016-03-22 13:28:03 +01:00
Anthony Scemama
6b3ba6a99e Fixed QMCPACK bugs (Issue #154) 2016-03-07 20:13:43 +01:00
Anthony Scemama
8720911ef7 Fixed QMCPACK bugs 2016-03-07 19:47:26 +01:00
Anthony Scemama
20a857c446 Distributed PT2 2016-02-19 00:20:28 +01:00
Anthony Scemama
ce86b932ca Spelling in comments 2015-07-25 00:18:19 +02:00
Thomas Applencourt
63055bbbce Beter doc 2015-07-06 14:18:11 +02:00
Thomas Applencourt
a94d3e0e95 AO provider 2015-07-02 16:52:34 +02:00
Thomas Applencourt
30dcb63621 Move aos_ezfio.confing into EZFIO.cfg 2015-07-02 15:55:57 +02:00
Thomas Applencourt
fb1114b84d Fix bug for character*(68) 2015-06-24 17:23:49 +02:00
Thomas Applencourt
ac37c2dab8 Workaround for IRP bug 2015-06-24 09:02:22 +02:00
Thomas Applencourt
b3676c43d0 OK 2015-06-23 14:19:54 +02:00
Thomas Applencourt
45054db18e Remove ezfio_config 2015-06-23 14:07:03 +02:00
Thomas Applencourt
a07312b077 Update doc 2015-06-19 18:58:36 +02:00
Thomas Applencourt
c6128f7a22 Fix ei_handler ocaml_global 2015-06-19 10:32:19 +02:00
Thomas Applencourt
93eafd009d Update the EZFIO.cfg with the new keyword 2015-06-18 15:04:44 +02:00
Thomas Applencourt
abbcb3195a Change global variable 2015-06-18 11:11:14 +02:00
Thomas Applencourt
e6e78a521c installation zlib OK 2015-06-08 20:46:36 +02:00
Thomas Applencourt
e0f360084e QPACKAGE_ROOT => QP_ROOT =D 2015-06-08 14:49:10 +02:00
Thomas Applencourt
f26f761b0b New setup v2 2015-06-08 12:35:40 +02:00
Thomas Applencourt
bfde4f47c9 Fix cache import 2015-06-04 18:01:03 +02:00
Thomas Applencourt
62ef20c607 Cleaning but qp_ninja is now long... 2015-06-04 17:01:50 +02:00
Thomas Applencourt
e99034d3f9 Try to merge... 2015-06-03 14:03:11 +02:00
Thomas Applencourt
47b8ca4873 Ninja work now /tmp/ninja/ninja -v -d explain build_all_binary! 2015-05-25 18:40:20 +02:00
Thomas Applencourt
c392599f84 Still working on ninja 2015-05-21 11:30:15 +02:00
Thomas Applencourt
538dfff980 New Working (maybe?) makefile 2015-05-15 16:30:43 +02:00
Anthony Scemama
7c0fd00c1f Added module DensityFit 2015-05-13 22:53:26 +02:00
Thomas Applencourt
65574036cd Move some file to be logic 2015-05-13 15:59:06 +02:00
Thomas Applencourt
f738d273d5 Now Makefile.depend is handlbe by ... module_handler ! 2015-05-13 15:33:38 +02:00
Thomas Applencourt
93b4d0c1bf Update qp_convert_ezfio 2015-05-12 11:32:20 +02:00
Thomas Applencourt
f628bdee18 Rename MonoInts into Integrals_Monoelec 2015-05-12 11:05:07 +02:00
Anthony Scemama
e438d8582b Removed Output module 2015-05-11 19:41:56 +02:00
Thomas Applencourt
4a45182ff7 Put pseudo in pseudo and add suport for SIZE un ezfio.cfg 2015-05-11 14:40:55 +02:00
Thomas Applencourt
7ccfee69a5 Add qp_utils.py for cache decorator, remove pickl in ei_handler.py 2015-05-05 11:05:27 +02:00
Thomas Applencourt
e5096621f2 Fix set_pseudo_integrals_do_pseudo = False in test 2015-05-02 13:29:57 +02:00