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TApplencourt-patch-1

biblio

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cleaning_dft

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daily-test

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dev-stable

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gh-pages

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kgasperich-patch-1

kgasperich-patch-2

kpts-patch-1

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v1j4y-patch-2

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2.0.0

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v2.0.0-beta

v2.1.1

v2.2.2

8732c21765 Fix IRPF90 Path Anthony Scemama 2019-10-21 14:32:17 +0200
280ad99c79

Merge branch 'master' into bugfix Anthony Scemama 2019-10-21 14:14:45 +0200
9ef3e904de Merge branch 'bugfix' of github.com:QuantumPackage/qp2 into bugfix Anthony Scemama 2019-10-21 14:13:32 +0200
924d505d17 Use irpf90 v1.7.6 Anthony Scemama 2019-10-21 14:11:47 +0200
304c682a60

Biblio (#66) Anthony Scemama 2019-10-17 23:50:42 +0200
df55cb7024

Merge branch 'master' into biblio Anthony Scemama 2019-10-17 23:49:47 +0200
0f2e28f773 Published Anthony Scemama 2019-10-17 23:39:23 +0200
0444c8daae Merge branch 'master' into biblio Anthony Scemama 2019-10-17 23:38:21 +0200
4f332ee494

Fixed 6-31G and quickstart (#65) Anthony Scemama 2019-10-01 10:38:29 +0200
921edf36b1 Merge branch 'master' into bugfix Anthony Scemama 2019-10-01 09:46:21 +0200
bfe52ed56f fixed bug in HF_exchange Emmanuel Giner LCT 2019-09-26 17:03:47 +0200
d91de1bc2b Bug in quickstart Anthony Scemama 2019-09-26 12:48:43 +0200
9f6cedde85 Fixed 6-31 basis sets Anthony Scemama 2019-09-26 11:00:31 +0200
c8cd161162 trying to fix the casscf Emmanuel Giner LCT 2019-09-18 13:55:16 +0200
2d61610022

Biblio (#64) Anthony Scemama 2019-09-10 16:49:08 +0200
ca5c0b573b Merge branch 'biblio' of github.com:QuantumPackage/qp2 into biblio Anthony Scemama 2019-09-10 16:48:29 +0200
a4b8ab668e 2 papers Anthony Scemama 2019-09-10 16:47:50 +0200
0c81adfd51 Merge branch 'master' into biblio Anthony Scemama 2019-09-10 16:43:17 +0200
618d4ca8b3

Merge pull request #63 from QuantumPackage/bugfix Anthony Scemama 2019-09-02 17:54:23 +0200
6d9cb6ea05

Merge branch 'master' into bugfix Anthony Scemama 2019-09-02 17:25:53 +0200
5efd47339a Checking number of electrons in MOs Anthony Scemama 2019-09-02 15:55:44 +0200
2b0f3282f8

Biblio (#62) Anthony Scemama 2019-09-02 10:12:09 +0200
a68c5e817f

Merge branch 'master' into biblio Anthony Scemama 2019-09-02 10:11:41 +0200
74730032ca Fixed Pierre Francois Anthony Scemama 2019-09-02 10:09:12 +0200
2e32cd2267 changed some radiis for DFT Emmanuel Giner LCT 2019-08-30 20:00:29 +0200
879a83f1f7 Merge branch 'dev-lct' of https://github.com/QuantumPackage/qp2 into dev-lct Emmanuel Giner LCT 2019-08-30 16:31:17 +0200
bee191ee28 working on casscf Emmanuel Giner LCT 2019-08-30 16:30:50 +0200
b0ed52c0b0

Biblio (#61) Anthony Scemama 2019-08-28 13:05:54 +0200
bcd44c30c7 Added paper Anthony Scemama 2019-08-28 13:05:03 +0200
4a5806a642 Comments Anthony Scemama 2019-08-26 23:12:31 +0200
dced248acd Fixing bug in qp_edit Anthony Scemama 2019-08-23 18:14:12 +0200
cc2e58448e Fixed save_natorb Anthony Scemama 2019-08-23 15:52:10 +0200
d1c0d179dc We always give max 10k dets in qp_edit. Read-only if more Anthony Scemama 2019-08-22 19:20:14 +0200
00f7397a47 Faster determinants in OCaml Anthony Scemama 2019-08-21 21:13:19 +0200
6ee1e7b49e Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq Anthony Scemama 2019-08-21 17:18:03 +0200
a65e4d07a3 Merge Anthony Scemama 2019-08-21 16:40:07 +0200
1383368ccc Merge Anthony Scemama 2019-08-21 16:40:03 +0200
4395e7eb78 Merge Anthony Scemama 2019-08-21 16:40:02 +0200
bdb819f389 Merge Anthony Scemama 2019-08-21 16:40:00 +0200
3f34e43418 Merge Anthony Scemama 2019-08-21 16:39:09 +0200
44a0c4a833 Merge branch 'master' into dev-lcpq Anthony Scemama 2019-08-21 16:31:15 +0200
6148624fe7

Optimized qp_edit -n (#60) Anthony Scemama 2019-08-21 16:29:23 +0200
3120017773 Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq Anthony Scemama 2019-08-21 14:56:25 +0200
30b32bc3b8 Optimizing qp_edit Anthony Scemama 2019-08-21 14:55:44 +0200
1447e19add Merge branch 'master' into bugfix Anthony Scemama 2019-08-21 14:53:54 +0200
8b14e190a9 Fix spurious EOF Thomas Applencourt 2019-08-19 17:13:41 -0500
145cf7d2cc

Fix spurious EOF Thomas Applencourt 2019-08-19 17:13:41 -0500
f14bd1bc6f Merge branch 'master' into dev-lct Anthony Scemama 2019-08-19 20:18:18 +0200
3bd85aec2d Merge branch 'master' into dev-lcpq Anthony Scemama 2019-08-19 20:17:50 +0200
3c353e990b Merge branch 'master' into dev Anthony Scemama 2019-08-19 20:17:33 +0200
532e635a7d Merge branch 'master' into daily-test Anthony Scemama 2019-08-19 20:17:28 +0200
f4f75509db

Biblio (#58) Anthony Scemama 2019-08-19 20:16:33 +0200
6a091424d1 Journal missing in research.bib Anthony Scemama 2019-08-19 20:15:18 +0200
9030a2812c Merge branch 'biblio' of github.com:QuantumPackage/qp2 into biblio Anthony Scemama 2019-08-19 20:14:40 +0200
0be3f16c36 Merge branch 'master' into casscf Anthony Scemama 2019-08-19 20:14:26 +0200
fd637a9aa1 Merge branch 'master' into bugfix Anthony Scemama 2019-08-19 20:12:15 +0200
57541e2cfd Merge branch 'master' into biblio Anthony Scemama 2019-08-19 20:12:13 +0200
fcade8c8f7

Fixed installation issues with OPAM Anthony Scemama 2019-08-19 20:11:39 +0200
ded50ce39e

Merge branch 'master' into bugfix Anthony Scemama 2019-08-19 19:44:54 +0200
e8c5ffe5f3 Minor changes Anthony Scemama 2019-08-19 19:12:15 +0200
cd2b606daa

Biblio (#57) Anthony Scemama 2019-08-19 18:57:43 +0200
709ad99b50

Merge branch 'master' into biblio Anthony Scemama 2019-08-19 18:57:26 +0200
7204144271

Merge branch 'master' into bugfix Anthony Scemama 2019-08-19 18:47:03 +0200
6619ecb8ac Update paper Anthony Scemama 2019-08-19 18:42:51 +0200
9fcdf9125b Merge branch 'bugfix' into dev-lcpq Anthony Scemama 2019-08-19 18:40:42 +0200
02500848d8 Introduce NO_CACHE in configure for daily test Anthony Scemama 2019-08-19 17:56:00 +0200
c09c7592e8 Merge branch 'master' into bugfix Anthony Scemama 2019-08-19 17:55:11 +0200
fdcd8c3a8f Fixing opam installation Anthony Scemama 2019-08-19 17:42:54 +0200
b65400c544

Update biblio (#55) Anthony Scemama 2019-08-19 13:14:01 +0200
ef27e2c407 Update biblio Anthony Scemama 2019-08-19 12:27:05 +0200
9022e3c689 Reduce size of qp_box.png gh-pages Anthony Scemama 2019-08-02 13:04:28 +0200
a8a43100a5 Exclude temp files in tar Anthony Scemama 2019-08-02 13:03:14 +0200
2c0ad8ccc5 Reduced size of qp2.png Anthony Scemama 2019-08-02 12:41:24 +0200
1e7f837d2f Router/dealer in qp_tunnel Anthony Scemama 2019-08-01 12:11:10 +0200
0950d03f09 Improving scaling of pt2 with network Anthony Scemama 2019-07-31 20:56:00 +0200
d0419b4f0a Fix configure Anthony Scemama 2019-07-31 16:25:23 +0200
dad72314de Merge branch 'dev' into casscf Anthony Scemama 2019-07-26 12:41:27 +0200
e5825418a5 Merge branch 'dev' into dev-lct Anthony Scemama 2019-07-26 12:41:16 +0200
c34808d05c Merge branch 'dev' into dev-lcpq Anthony Scemama 2019-07-26 12:41:10 +0200
e498c21268 Merge branch 'master' into dev Anthony Scemama 2019-07-26 12:40:59 +0200
faaba29eb7

Fix rm opam_installer.sh (#53) Anthony Scemama 2019-07-26 12:39:58 +0200
dedd2b9087 Fixed rm opam_installer Anthony Scemama 2019-07-26 12:38:34 +0200
b483783c13 Changed native into SSE4.2 in gfortran.cfg Anthony Scemama 2019-07-24 13:22:40 +0200
3a6e9b7a05 Merge branch 'dev' into casscf Anthony Scemama 2019-07-24 13:19:20 +0200
d8e28e4106 Merge branch 'dev' into dev-lct Anthony Scemama 2019-07-24 13:18:47 +0200
133a05c683 Merge branch 'dev' into dev-lcpq Anthony Scemama 2019-07-24 13:18:23 +0200
2db0173057 Merge branch 'master' into dev Anthony Scemama 2019-07-24 13:17:04 +0200
ff3e5b2ac1

Force opam installation with OCaml 4.7.1 Anthony Scemama 2019-07-24 13:05:12 +0200
2e86462070 Update README.md Anthony Scemama 2019-07-24 12:56:45 +0200
95364f5133 Nicer links Anthony Scemama 2019-07-24 12:53:59 +0200
861aed9dd4 Update GITHUB.md Anthony Scemama 2019-07-24 12:40:05 +0200
2f89be4ee9 Fixing travis Anthony Scemama 2019-07-24 12:33:08 +0200
0007455846 Fixing travis Anthony Scemama 2019-07-24 10:27:39 +0200
be6c9b533e Fixing travis Anthony Scemama 2019-07-24 09:36:51 +0200
c405dc99d3 Fixing travis Anthony Scemama 2019-07-24 09:06:11 +0200
4e58fe7576 Typo Anthony Scemama 2019-07-24 08:12:22 +0200
a8dbea61d3 Fixed opam installation Anthony Scemama 2019-07-24 08:11:17 +0200
b3690a977b Updated reference Anthony Scemama 2019-07-24 07:57:47 +0200
bf96d8c0c8 Renamed disk_access_nuclear_repulsion Anthony Scemama 2019-07-23 14:54:03 +0200
dfd5f25af7 put the openmp 2rdm Emmanuel Giner LCT 2019-07-16 19:51:53 +0200