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TApplencourt-patch-1

biblio

bugfix

cleaning_dft

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csf

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dev-stable

dev-stable-pt-charges

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features_casscf

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gh-pages

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guix

kgasperich-patch-1

kgasperich-patch-2

kpts-patch-1

macos

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v1j4y-patch-2

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2.0.0

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2.1.1

2.1.2

v0.0-kpts

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v2.0.0-beta

v2.1.1

v2.2.2

5fcf1e6008 merging Barthélémy Pradines 2019-03-01 14:15:58 +0100
cec440422b modified gfortran_debug.cfg Barthélémy Pradines 2019-03-01 14:07:17 +0100
b95ebd0472 Documentation Anthony Scemama 2019-02-27 11:29:15 +0100
0e7dffecbb some modifs Emmanuel Giner 2019-02-27 00:37:43 +0100
25830f5fed Added print_ci_vector Anthony Scemama 2019-02-25 10:04:30 +0100
49e9488f62

Develop (#10) Anthony Scemama 2019-02-22 19:19:58 +0100
ca4f8ebdca

Fixed energies of non-expected s2 (#9) Anthony Scemama 2019-02-22 17:59:19 +0100
11edf7d13e Fixed travis Anthony Scemama 2019-02-22 16:44:48 +0100
7551045e9d Moved diag_algorithm in Davdison Anthony Scemama 2019-02-22 15:13:58 +0100
278f15d091 Fixed energies of non-expected s2 Anthony Scemama 2019-02-22 14:28:41 +0100
cc5493dd3c Documentation Anthony Scemama 2019-02-21 14:35:01 +0100
8302369931 Scripting for functionals Anthony Scemama 2019-02-21 12:05:11 +0100
53bfff8beb Fixed plugins Anthony Scemama 2019-02-21 11:18:11 +0100
f5ecf72f5c

Develop manus (#8) Anthony Scemama 2019-02-21 10:50:02 +0100
acf153a84e updated cipsi Emmanuel Giner 2019-02-21 10:41:25 +0100
fd0e1427c4 Comment Anthony Scemama 2019-02-21 10:38:59 +0100
cc21e47348

Update quickstart.rst Anthony Scemama 2019-02-21 10:37:04 +0100
2435af3e45

Update quickstart.rst Anthony Scemama 2019-02-21 10:36:06 +0100
ec94d7f4ef

Update links.rst Anthony Scemama 2019-02-21 10:18:26 +0100
23f4b8087c

Update e_xc_new_func.irp.f Anthony Scemama 2019-02-21 10:05:57 +0100
0172523e59

Update README.rst Anthony Scemama 2019-02-21 10:04:56 +0100
2783eabec3

Merge branch 'develop' into develop-manus Anthony Scemama 2019-02-21 09:33:21 +0100
c702cd64c7

Merge branch 'master' into develop-manus Anthony Scemama 2019-02-21 09:28:50 +0100
9e3648a28d merge with develop Barthélémy Pradines 2019-02-20 11:48:01 +0100
4ddc9af49f modified printing for rpt2 Barthélémy Pradines 2019-02-20 11:44:06 +0100
e347ea6303 Fixed bug with zero beta electrons Anthony Scemama 2019-02-20 11:24:38 +0100
ee20f8ede1 bug fixed by peter eginer 2019-02-18 15:11:17 +0100
f6e5b4aeef

Delete mo_energy_expval.irp.broken Anthony Scemama 2019-02-18 15:05:38 +0100
667ad773f9 Comments in selection Anthony Scemama 2019-02-14 23:13:23 +0100
1e35816a61 merged eginer 2019-02-11 21:03:44 +0100
598cae71cf fixed the vxc smashed for pbe sr and normal eginer 2019-02-11 21:02:02 +0100
f618ae125a fixed potential pbe eginer 2019-02-11 20:30:20 +0100
025ecdf405 trying to improve sr PBE eginer 2019-02-11 19:38:31 +0100
0e530b9ad3 improved pot pbe eginer 2019-02-11 18:39:43 +0100
a298349f8a fixed DFT potential for n_states gt 1 eginer 2019-02-11 17:04:44 +0100
bdb1a76855 Merge branch 'master' of https://github.com/QuantumPackage/qp2 eginer 2019-02-11 15:52:59 +0100
5839f66aad modif TODO eginer 2019-02-11 15:52:49 +0100
0aa10ac979 Fixed completion in qp_create Anthony Scemama 2019-02-11 10:45:16 +0100
407ab27ff2 Added variance_max Anthony Scemama 2019-02-11 10:44:52 +0100
d82042182a Typos Anthony Scemama 2019-02-08 09:43:56 +0100
7ea7b9e5d2 Tutorials Anthony Scemama 2019-02-07 10:03:34 +0100
ee63bd019d Doc Anthony Scemama 2019-02-06 18:24:51 +0100
f1fe33a8fb improved qp_e_conv_fci eginer 2019-02-06 18:22:08 +0100
e11b04e519 Added gmp installation in configure Anthony Scemama 2019-02-06 18:12:13 +0100
1097b4489b Thesis Yann Anthony Scemama 2019-02-06 17:41:34 +0100
489f9bd969 Fixed hf_energy Anthony Scemama 2019-02-06 16:49:32 +0100
c3aa9dbe3b Merge branch 'master' into develop eginer 2019-02-06 15:30:18 +0100
977ccbad29 merge eginer 2019-02-06 15:29:28 +0100
4759309d11 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop eginer 2019-02-06 15:27:59 +0100
2016edd734 Added test Anthony Scemama 2019-02-05 22:15:29 +0100
a7e36d8a70 Docs Anthony Scemama 2019-02-05 18:54:52 +0100
58569af542 Merge remote-tracking branch 'origin/master' Anthony Scemama 2019-02-05 18:52:45 +0100
9babb038dc Fixed davidson ZMQ termination Anthony Scemama 2019-02-05 18:44:03 +0100
5a8a4fb37e Fixed wrong Assert Anthony Scemama 2019-02-05 18:31:11 +0100
0a71ad75e7 Video FCI Anthony Scemama 2019-02-05 17:07:20 +0100
379f5c71a2 Video FCI Anthony Scemama 2019-02-05 16:57:51 +0100
aeca459c19 Fixed Anthony Scemama 2019-02-05 16:55:58 +0100
52ed9d38aa post Anthony Scemama 2019-02-05 16:53:36 +0100
79ec39e324 Tutorials page Anthony Scemama 2019-02-05 16:48:17 +0100
14f7910ec5 Update Manu Anthony Scemama 2019-02-05 16:34:24 +0100
92662b692c Update Manu Anthony Scemama 2019-02-05 16:32:59 +0100
e7267463c8 Fixed u0Hu0 Anthony Scemama 2019-02-05 12:02:50 +0100
ae4d4acdd7

Bug Fixes (#5) Anthony Scemama 2019-02-05 00:22:59 +0100
60255980e9 Mono -> Single Anthony Scemama 2019-02-04 23:51:09 +0100
37fe028626 Fixed travis Anthony Scemama 2019-02-04 23:23:08 +0100
6ffdccb26d added source/programmers_guide/new_ks.rst eginer 2019-02-04 19:43:39 +0100
75b50cf4d6 Fixed Travis Anthony Scemama 2019-02-04 19:33:15 +0100
54c4b15324 Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop Anthony Scemama 2019-02-04 18:29:02 +0100
acab743773 Distributed only when Ndet > 100 000 Anthony Scemama 2019-02-04 18:21:21 +0100
44b9318bae added README.rst in new_functionals eginer 2019-02-04 16:13:42 +0100
915217bc15 Merge branch 'develop' of github.com:QuantumPackage/qp2 into develop Anthony Scemama 2019-02-04 15:43:42 +0100
ba3c3ab7e1 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop Anthony Scemama 2019-02-04 15:40:32 +0100
f37f7ae87a Removed SOP as default Anthony Scemama 2019-02-04 14:43:30 +0100
7deb62cb4a Merge olympe:qp2 into develop Anthony Scemama 2019-02-04 13:17:59 +0100
df3a4fce2b Optimized communications Anthony Scemama 2019-02-04 13:20:24 +0100
35143c336e Error messages Anthony Scemama 2019-02-04 13:14:57 +0100
981b563177 added dft_one_e/README.rst eginer 2019-02-04 13:14:05 +0100
9befba4a9e web Anthony Scemama 2019-02-04 10:47:14 +0100
8ee4e8fb56 Added new tutorial Anthony Scemama 2019-02-04 10:34:08 +0100
dd14a4f50d Better handling of pt2 tasks Anthony Scemama 2019-02-03 17:30:28 +0100
e41e34be58 Merge branch 'develop' into develop_manu eginer 2019-02-01 16:29:52 +0100
ca26262907 Type error in sending Anthony Scemama 2019-01-31 17:57:36 +0100
e62dd629c4 Longer tasks Anthony Scemama 2019-01-31 17:43:06 +0100
d76f39527d Update mini in slaves Anthony Scemama 2019-01-31 17:28:54 +0100
8bd05b2c3f Asynchronous ZMQ Anthony Scemama 2019-01-31 17:23:47 +0100
3cf722374b Improved openmp in selection Anthony Scemama 2019-01-31 11:57:46 +0100
9b0d38fb7b Reduced RAM in pt2 slaves Anthony Scemama 2019-01-31 11:26:13 +0100
97361aaf17 Merge olympe:qp2 into develop Anthony Scemama 2019-01-31 11:20:27 +0100
4289859204 Introduced HF denominator Anthony Scemama 2019-01-31 11:20:17 +0100
ecaa190f63 Merge branch 'develop' into develop_manu eginer 2019-01-30 18:38:08 +0100
1ae6af7ce3 changed the configure eginer 2019-01-30 18:28:52 +0100
34fae6be69

Merge branch 'master' into develop Anthony Scemama 2019-01-30 17:28:15 +0100
55baae2e11 Doc Anthony Scemama 2019-01-30 17:23:49 +0100
ab5fd75524 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop eginer 2019-01-30 11:47:08 +0100
a20dfdee69 changed the configure to add new functionals eginer 2019-01-30 11:43:36 +0100
876c9d5fb4 Merge branch 'develop' of https://github.com/QuantumPackage/qp2 into develop Anthony Scemama 2019-01-30 11:11:34 +0100
7521d3da46 Folder -> directory Anthony Scemama 2019-01-29 23:10:00 +0100
8f4450f8c5 Reduced ZMQ buffers Anthony Scemama 2019-01-29 21:48:59 +0100
9762b51df5 added new feature for new dft functionals eginer 2019-01-29 18:49:25 +0100
8e6603c85a Forgot files Anthony Scemama 2019-01-29 18:27:54 +0100