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TApplencourt-patch-1

biblio

bugfix

cleaning_dft

cleaning_kpts

csf

daily-test

dev-broken

dev-pbc

dev-spher_harm

dev-stable

dev-stable-pt-charges

dev-stable-rdm

dev-stable-tc-scf

dev-tc

features_casscf

features_kpts

features_periodic

features_spack

gh-pages

good-dev-tc

guix

kgasperich-patch-1

kgasperich-patch-2

kpts-patch-1

macos

master

torus

trexio

v1j4y-patch-2

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2.0.0

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v2.0.0-beta

v2.1.1

v2.2.2

9804c8bc6e Add -lpthread in configure Alice Cuzzocrea 2019-04-12 13:34:17 +0200
d27a53b198 added MCSCF type (for PETER) eginer 2019-04-11 17:04:49 +0200
68fc52c219 Fixing travis Anthony Scemama 2019-04-10 19:41:07 +0200
1a9698301d Removed test in reverse Anthony Scemama 2019-04-10 18:55:01 +0200
178a8f5760 Commented index_reverse and acceleration Anthony Scemama 2019-04-10 17:19:44 +0200
016de173e1

Merge pull request #38 from QuantumPackage/master Anthony Scemama 2019-04-09 19:14:01 +0200
6352e442ca added qp_set_frozen_large_core Emmanuel Giner 2019-04-09 16:03:54 +0200
400427157d added the definition of the input density in the AO basis Emmanuel Giner 2019-04-09 00:10:01 +0200
a43b3a3e71 Removed ocaml compiler version from configure (#37) Anthony Scemama 2019-04-08 17:44:54 +0200
06f9010c12 Merge branch 'dev' into dev-lct Emmanuel Giner 2019-04-08 16:16:15 +0200
1228effa85 minor modifs Emmanuel Giner 2019-04-08 16:15:13 +0200
e9be29933c

Merge branch 'dev' into master Anthony Scemama 2019-04-08 11:37:29 +0200
a7a280d9a2 Removed ocaml compiler version from configure Anthony Scemama 2019-04-08 10:50:23 +0200
8deb6ae0d7 Merge branch 'dev' into dev-lcpq Anthony Scemama 2019-04-01 18:03:26 +0200
1db465d0f9 Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq Anthony Scemama 2019-04-01 18:03:12 +0200
b877e032c3 Merge branch 'master' into dev Anthony Scemama 2019-04-01 18:02:55 +0200
148add1a73 Fix bug when a blank space precedes program Anthony Scemama 2019-04-01 18:02:34 +0200
061646976a

Merge pull request #31 from QuantumPackage/dev-lct Anthony Scemama 2019-03-28 16:17:25 +0100
7f5b9c5495

Merge pull request #34 from QuantumPackage/dev-lct Anthony Scemama 2019-03-28 16:17:11 +0100
c23b99da6a merge master (#35) Anthony Scemama 2019-03-28 16:09:03 +0100
a9a4b00afd Fixing opam Anthony Scemama 2019-03-28 08:56:25 +0100
d3d8f8731b Fixing bwrap Anthony Scemama 2019-03-27 22:05:52 +0100
39727d793f Merge branch 'master' into dev-lct Emmanuel Giner 2019-03-27 18:30:18 +0100
7417c736af Merge branch 'dev-lcpq' into dev-lct Emmanuel Giner 2019-03-27 18:30:13 +0100
d616e9c566 add normalize_dm Emmanuel Giner 2019-03-27 18:29:08 +0100
e8d8f73475 Force sexplib version 0.11.0 Anthony Scemama 2019-03-27 17:37:35 +0100
37bed49303

Merge pull request #32 from QuantumPackage/master Emmanuel Giner 2019-03-27 13:42:14 +0100
19cb312097 Merge branch 'master' into dev-lct Emmanuel Giner 2019-03-27 13:15:56 +0100
2cd5694e0f fixed bug for X atoms in grid DFT Emmanuel Giner 2019-03-27 13:14:55 +0100
02968f569e fixed bug for dummy atoms X Emmanuel Giner 2019-03-27 12:56:32 +0100
98f46b3cee

Merge pull request #30 from mveril/cleaning-qp-plugins-download Anthony Scemama 2019-03-24 14:51:53 +0100
c180a534d7 Cleaning code for qp_plugins download for git repo Mickaël Véril 2019-03-23 20:05:29 +0100
832dbe10fa

Merge pull request #29 from mveril/repo-custom-name Anthony Scemama 2019-03-23 16:08:15 +0100
43f921fffb Add the posiblity to set custom name when we download git repo Mickaël Véril 2019-03-23 12:51:53 +0100
45fc547531

OCaml Core is removed Anthony Scemama 2019-03-22 22:05:46 +0100
c960dfd245

Merge branch 'master' into dev Anthony Scemama 2019-03-21 00:45:59 +0100
b2f93a3d8d

Merge pull request #28 from QuantumPackage/dev-lct Anthony Scemama 2019-03-21 00:45:36 +0100
24acfa6938 Merge branch 'dev' into dev-lct Emmanuel Giner 2019-03-21 00:14:17 +0100
da1f0766dc

Merge pull request #26 from QuantumPackage/dev-lcpq Anthony Scemama 2019-03-21 00:11:39 +0100
dec1fe10ba Merge remote-tracking branch 'origin/dev' into dev-lct Emmanuel Giner 2019-03-21 00:07:03 +0100
c22814c27c Removed unused variable Anthony Scemama 2019-03-20 13:45:25 +0100
8709ea8202 Fixed triplet Anthony Scemama 2019-03-20 13:39:04 +0100
dc5568c1cb Fixed selection for multiple states Anthony Scemama 2019-03-20 12:49:00 +0100
34f701f8cd Minor change in Python scripts Anthony Scemama 2019-03-20 12:43:32 +0100
378d6bc515 Merge branch 'dev-lct' of https://github.com/QuantumPackage/qp2 into dev-lct Emmanuel Giner 2019-03-19 17:09:45 +0100
b60c235623 added no core densities Emmanuel Giner 2019-03-19 17:09:36 +0100
7fa6dc9334 Updated research.bib Anthony Scemama 2019-03-13 16:04:00 +0100
f4e305c0a4 Doc' Anthony Scemama 2019-03-13 15:56:44 +0100
9dd8e5b886 Merge branch 'dev' into dev-lcpq Anthony Scemama 2019-03-13 15:51:31 +0100
c8fc779c4f Merge branch 'master' into dev-lcpq Anthony Scemama 2019-03-13 15:51:28 +0100
515925dd7c Merge branch 'master' into dev Anthony Scemama 2019-03-13 15:50:45 +0100
09eab3db06 Removed core Anthony Scemama 2019-03-13 15:49:57 +0100
a145334269 Removed Core from qp_run Anthony Scemama 2019-03-13 14:40:45 +0100
a38148cc4d

run_slave_cipsi was wrongly commented out Anthony Scemama 2019-03-13 14:42:07 +0100
f203fbad2d Removing Core Anthony Scemama 2019-03-13 13:02:29 +0100
86b982c769 Forcing core v0.11.3 because v0.12 is broken Anthony Scemama 2019-03-13 11:40:15 +0100
da3ba4ef4b Removed Core from qp_create_ezfio.ml Anthony Scemama 2019-03-13 11:35:21 +0100
83d3cafbb2 Removed Core from MO_class.ml Anthony Scemama 2019-03-13 10:42:18 +0100
6011ed7a2e Merge branch 'master' into dev-lcpq Anthony Scemama 2019-03-13 09:45:25 +0100
1edf8c2e84 Merge branch 'master' of github.com:QuantumPackage/qp2 Anthony Scemama 2019-03-13 09:44:50 +0100
7d1a2c6990 README Anthony Scemama 2019-03-13 09:44:46 +0100
c4e385a2f7

Merge pull request #25 from QuantumPackage/dev-lct Anthony Scemama 2019-03-12 18:52:40 +0100
acb3bbc615

Update .gitignore Thomas Applencourt 2019-03-12 10:51:09 -0500
e553d8c5ba merging Emmanuel Giner 2019-03-12 16:28:51 +0100
e124406413 bug fixed in dev-lct Emmanuel Giner 2019-03-12 16:27:48 +0100
58d977a66b

Merge pull request #24 from QuantumPackage/dev-lct Anthony Scemama 2019-03-11 13:48:26 +0100
1f647c595d added swap_mos.irp.f eginer 2019-03-11 12:22:44 +0100
658388a422

sort_by_fock_energies Anthony Scemama 2019-03-09 11:43:32 +0100
8705a7d5f7 added sort_by_fock_energies.irp.f Emmanuel Giner 2019-03-08 18:12:15 +0100
fdfac1bb25

Merge pull request #22 from QuantumPackage/dev Anthony Scemama 2019-03-08 17:01:09 +0100
0e3013a71a

Merge pull request #21 from QuantumPackage/dev Anthony Scemama 2019-03-08 17:00:27 +0100
cab5c018cb

Merge pull request #20 from QuantumPackage/master Anthony Scemama 2019-03-08 16:59:54 +0100
f1bafe47c0

Merge pull request #19 from QuantumPackage/dev-lct Anthony Scemama 2019-03-08 16:58:55 +0100
adbb78a5ff fixed h_core energy for multistate Barthélémy Pradines 2019-03-08 16:14:43 +0100
be902c6636 Merge branch 'develop' into develop-lcpq Anthony Scemama 2019-03-07 18:38:42 +0100
ec792dd46b Merge branch 'master' into develop Anthony Scemama 2019-03-07 18:37:53 +0100
5eaa469948 Updated documentation Anthony Scemama 2019-03-07 18:37:14 +0100
00fce99d57

Merge branch 'develop' into master Anthony Scemama 2019-03-07 18:35:12 +0100
ea6ff80241

Develop lcpq (#16) Anthony Scemama 2019-03-07 18:30:25 +0100
a0cd30486f Merge branch 'develop' into develop-lcpq Anthony Scemama 2019-03-07 18:25:44 +0100
f495350af0 Typo Anthony Scemama 2019-03-07 18:24:38 +0100
c527a2bd29 Documentation Anthony Scemama 2019-03-07 17:49:59 +0100
b74c2dbb7e More beautiful Anthony Scemama 2019-03-07 17:49:44 +0100
d6b025e47e Improved intro Anthony Scemama 2019-03-07 17:24:41 +0100
768cf38afc Update link Anthony Scemama 2019-03-07 17:16:57 +0100
8b22e38c9c

Develop (#15) v2.0.0-beta Anthony Scemama 2019-03-07 16:29:06 +0100
4cefdc70f7 bibtex Anthony Scemama 2019-03-07 15:46:56 +0100
310701bcbd Merge branch 'master' into develop Anthony Scemama 2019-03-07 15:40:07 +0100
5ae479bc8c Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop Anthony Scemama 2019-03-07 15:21:31 +0100
6e0713e273

Update GITHUB.md Anthony Scemama 2019-03-07 15:22:01 +0100
b35faad64d Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop Anthony Scemama 2019-03-07 15:14:10 +0100
6a56ed9eb3 Contributors Anthony Scemama 2019-03-07 15:12:02 +0100
97db863d6e

Update README.md Anthony Scemama 2019-03-07 15:10:30 +0100
e914b9512f

Update README.md Anthony Scemama 2019-03-07 15:09:42 +0100
9c361c8838 Cleaning repo Anthony Scemama 2019-03-07 14:39:25 +0100
79748da843 from_xyz suppressed Anthony Scemama 2019-03-07 14:15:49 +0100
4ba8ad7b47 Changed python into python2 Anthony Scemama 2019-03-07 14:12:47 +0100
c65ecce327

Develop manus (#14) Anthony Scemama 2019-03-07 14:05:50 +0100
7a89ac0a3e

Merge branch 'develop' into develop-manus Anthony Scemama 2019-03-07 13:28:47 +0100
1b1027765a

Develop toto (#13) Anthony Scemama 2019-03-07 13:24:00 +0100