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mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 04:43:50 +01:00
Commit Graph

593 Commits

Author SHA1 Message Date
Emmanuel Giner
3c9c51ad12 merged 2017-03-24 22:32:52 +01:00
Emmanuel Giner
89ae9650aa minor changes 2017-03-24 22:31:06 +01:00
Emmanuel Giner
11172c8439 Minor changes 2017-03-20 17:27:23 +01:00
Emmanuel Giner
f188250b24 merged files 2017-03-20 16:34:57 +01:00
Emmanuel Giner
3b8239976a minor modifs in FOBOCI 2017-03-20 16:21:00 +01:00
Emmanuel Giner
cf55bf8093 Merge branch 'master' of https://github.com/eginer/quantum_package 2017-03-17 16:23:03 +01:00
Emmanuel Giner
3426fdc10a minor changes 2017-03-17 16:20:37 +01:00
Emmanuel Giner
d93d28360f added track_orb.irp.f 2017-03-17 16:17:34 +01:00
Emmanuel Giner
65fb9bce6e Merge branch 'master' of https://github.com/eginer/quantum_package 2017-03-17 11:50:43 +01:00
Emmanuel Giner
dd981ed4e9 Merge branch 'master' of https://github.com/eginer/quantum_package 2017-03-17 11:47:11 +01:00
Emmanuel Giner
e8e7985429 minor changes in plugins/FOBOCI/SC2_1h1p.irp.f 2017-03-17 11:46:43 +01:00
Emmanuel Giner
ffb8338487 added density.irp.f 2017-03-17 11:45:35 +01:00
Emmanuel Giner
c5cc7e4d47 New version of FOBOCI 2017-03-17 11:40:48 +01:00
Emmanuel Giner
8885297493 Added SCF_density 2017-03-16 21:21:45 +01:00
Emmanuel Giner
a72b890b92 debugging FOBOCI 2017-03-16 21:21:27 +01:00
Emmanuel Giner
4e0c71df10 density based mrpt2 2017-02-06 21:28:01 +01:00
Emmanuel Giner
de209b3fa8 pouet 2017-02-03 11:51:22 +01:00
Thomas Applencourt
71c7f2619a Missing PROVIDE 2017-01-31 16:18:48 -06:00
Thomas Applencourt
78c47519da Missing PROVIDE 2017-01-31 16:07:41 -06:00
Thomas Applencourt
c204a890de Missing PROVIDE 2017-01-31 16:01:06 -06:00
Thomas Applencourt
22afa1ea56 Missing PROVIDE 2017-01-31 15:55:28 -06:00
Thomas Applencourt
f850e2ff2b Update dressing.irp.f 2017-01-25 20:23:45 -06:00
Thomas Applencourt
1f42b7092a Update selection.irp.f 2017-01-25 20:19:34 -06:00
Thomas Applencourt
191df237d7 Update selection.irp.f 2017-01-25 20:14:11 -06:00
Thomas Applencourt
6185049a20 Merge branch 'master' into master 2017-01-19 16:10:32 -06:00
fcf621e5e0 Removed comments 2016-12-13 09:41:41 +01:00
348032f200 Solved MRPT_Utils problem 2016-12-12 21:26:01 +01:00
Anthony Scemama
2b1c8cd5d8 Merge pull request #46 from LCPQ/master
Merge LCPQ
2016-12-12 21:24:51 +01:00
05539f8a66 Merge branch 'develop' 2016-12-12 14:24:05 +01:00
8348862975 More applications of H in fci_zmq 2016-12-12 14:22:52 +01:00
2077a310db Merge branch 'develop' 2016-12-12 12:24:02 +01:00
f2719e33f5 Fixed mrcc=2 2016-12-12 12:16:56 +01:00
b9255c1a51 Minor changes 2016-12-09 15:52:55 +01:00
ee29506352 Accelerated amplitudes 2016-12-08 22:57:31 +01:00
Emmanuel Giner
eda249e631 final version of MRPT, at least I hope 2016-12-05 15:10:53 +01:00
ca9d34864b threshold davidson = thres * 100 2016-12-05 09:28:04 +01:00
cde801f276 Added missing file 2016-12-02 13:24:58 +01:00
366b0b66c2 Updated travis script 2016-12-02 12:07:19 +01:00
07b48ef2f7 Updated install scripts 2016-12-02 12:04:38 +01:00
d45d53be71 Trying Multi-state 2016-12-01 16:28:56 +01:00
f9fce87440 Removed radomization 2016-11-30 22:49:03 +01:00
3adf8cdcb7 Accelerated MRSC2 2016-11-30 21:20:36 +01:00
eb8f1757ab Accelerated MRSC2 2016-11-30 20:57:24 +01:00
e9b7135b83 Fixed: Bug in Davdison and Davidson_MRCC 2016-11-30 20:09:50 +01:00
222497d6ed Fixed Travis 2016-11-30 18:53:13 +01:00
bc1e564f17 Fixed Travis 2016-11-30 18:07:14 +01:00
afcac055ca Merge branch 'develop' 2016-11-30 17:12:46 +01:00
3ac00cc410 Merge branch 'master' into develop 2016-11-30 17:05:08 +01:00
d00c312361 Moved MRPT_Utils 2016-11-30 17:02:28 +01:00
13c1b5d47c Restored symmetrization 2016-11-30 11:32:40 +01:00