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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-25 05:43:47 +01:00
Commit Graph

2378 Commits

Author SHA1 Message Date
09ead73dc7 Improvde Davdison in MRCC 2016-11-04 00:57:37 +01:00
a592143744 Working on mrpt 2016-11-03 12:05:19 +01:00
7769ea536c Merge branch 'master' of github.com:scemama/quantum_package 2016-11-03 00:31:27 +01:00
33e5b93866 Corrected bug for excited stated MRCC 2016-11-03 00:29:49 +01:00
e17e530ce1 Now compiles with gfortran 2016-11-02 23:55:19 +01:00
a3e2292b8e Merge with Dr. Giner 2016-11-02 21:46:12 +01:00
Emmanuel Giner
d13853691a conflicts minimized for merge 2016-11-02 17:39:39 +01:00
Emmanuel Giner
05e641de97 warning 2016-11-02 16:11:13 +01:00
Emmanuel Giner
124d918021 forgotten files 2016-11-02 16:01:01 +01:00
1a6caf66b5 Corrected print bug for excited states: 2016-11-02 12:12:36 +01:00
TApplencourt
25b360a409 Update documetation... 2016-11-01 17:07:55 -05:00
TApplencourt
b207c0ed45 Add .gitignore 2016-11-01 16:35:26 -05:00
TApplencourt
b377e442a6 Add mising readme 2016-11-01 16:20:26 -05:00
TApplencourt
e0666cfbd4 Add config for knl 2016-11-01 16:19:44 -05:00
Thomas Applencourt
4994582619 Update README.md 2016-10-31 16:09:52 -05:00
Thomas Applencourt
a3ed72d0d9 Update run_tests.sh
'Fix' #173
2016-10-31 15:33:41 -05:00
Thomas Applencourt
5702db28f6 Merge pull request #174 from scemama/master
Removed useless unbind
2016-10-31 15:22:49 -05:00
Thomas Applencourt
6ebfa85f0f Update run_tests.sh 2016-10-31 15:05:57 -05:00
Thomas Applencourt
83c517a8e0 Update run_tests.sh 2016-10-31 14:18:00 -05:00
Thomas Applencourt
707bd6fbbd Update run_tests.sh 2016-10-31 14:08:00 -05:00
203876a0d6 Removed useless unbind 2016-10-31 19:44:30 +01:00
Thomas Applencourt
a7466703ed Bats dirty correction 2016-10-31 12:52:05 -05:00
Thomas Applencourt
4e1ca181ce Merge pull request #172 from scemama/master
Version 1.0
2016-10-31 12:30:32 -05:00
76b6bfd6a7 Merge branch 'master' into develop 2016-10-28 22:49:06 +02:00
69de9d30ca Merge branch 'LCPQ-master' into develop 2016-10-28 22:48:51 +02:00
3946c710fe Accelerated mono-excitations (mipi miip) 2016-10-28 22:37:05 +02:00
156a3f551b Accelerated integral access 2016-10-28 22:06:25 +02:00
08ac74cc2d Fixed binding bug 2016-10-28 18:18:46 +02:00
afc4111e24 Fixed "Unable to bind socket" 2016-10-28 17:40:36 +02:00
8802d98849 wrong dimensions in s2_out 2016-10-27 13:49:29 +02:00
Yann Garniron
5b5e45e1ca Ndet sized arrays on stack in slater_rules 2016-10-26 14:56:37 +02:00
Yann Garniron
6df982f2d0 wrongly dimensioned s2_out in davidson_diag_hs2 2016-10-26 12:28:41 +02:00
c78101882f Add zarith in ocaml install (missing dep. of cryptokit) 2016-10-25 23:42:32 +02:00
Thomas Applencourt
e96446e305 Add zlib in travis (Maybe solve cryptokit error) 2016-10-25 16:05:14 -05:00
Thomas Applencourt
f340c3eb99 Try to fix the opam dependency for conf-gmp.1 2016-10-25 15:42:43 -05:00
Thomas Applencourt
b7590f1bb3 fix #169 2016-10-24 16:54:54 -05:00
4b525172bc Merge branch 'master' of github.com:scemama/quantum_package 2016-10-18 23:49:31 +02:00
1185d70be7 Removed all ipc between Fortran and OCaml 2016-10-18 23:45:44 +02:00
360d38a41d Format error in loc_cele 2016-10-18 23:10:04 +02:00
2af22cb068 Merge branch 'master' of github.com:scemama/quantum_package 2016-10-18 23:08:31 +02:00
43aa7a3de4 Merge branch 'master' of github.com:scemama/quantum_package 2016-10-18 23:07:17 +02:00
2f1c7c5ce9 Small changes in MRCC 2016-10-18 23:07:03 +02:00
32f9b1a773 Merge branch 'master' of github.com:scemama/quantum_package 2016-10-18 22:50:43 +02:00
4119577ae8 Minor changes 2016-10-18 22:20:46 +02:00
1fe1750f90 Removed residual in Davdison 2016-10-18 21:36:45 +02:00
973065319c Introduced QR in Davidson 2016-10-18 19:29:50 +02:00
62e8d1a0ac The qp_run queue now pops from the back 2016-10-18 13:38:45 +02:00
9daced9d3a Merge branch 'develop' 2016-10-18 09:23:10 +02:00
Anthony Scemama
4694c08979 Merge pull request #43 from garniron/master
Merge with Garniroy
2016-10-18 09:22:14 +02:00
85596d9e7a Queuing_system.ml pops from the back and adds to the front 2016-10-17 17:40:51 +02:00