|
|
d91de1bc2b
|
Bug in quickstart
|
2019-09-26 12:48:43 +02:00 |
|
|
|
9f6cedde85
|
Fixed 6-31 basis sets
|
2019-09-26 11:00:31 +02:00 |
|
|
|
618d4ca8b3
|
Merge pull request #63 from QuantumPackage/bugfix
Bugfix
|
2019-09-02 17:54:23 +02:00 |
|
|
|
6d9cb6ea05
|
Merge branch 'master' into bugfix
|
2019-09-02 17:25:53 +02:00 |
|
|
|
5efd47339a
|
Checking number of electrons in MOs
|
2019-09-02 16:03:40 +02:00 |
|
|
|
2b0f3282f8
|
Biblio (#62)
* Update biblio
* Update paper
* Journal missing in research.bib
* Added paper
* Fixed Pierre Francois
|
2019-09-02 10:12:09 +02:00 |
|
|
|
b0ed52c0b0
|
Biblio (#61)
|
2019-08-28 13:05:54 +02:00 |
|
|
|
4a5806a642
|
Comments
|
2019-08-26 23:12:31 +02:00 |
|
|
|
dced248acd
|
Fixing bug in qp_edit
|
2019-08-23 18:35:45 +02:00 |
|
|
|
cc2e58448e
|
Fixed save_natorb
|
2019-08-23 15:52:10 +02:00 |
|
|
|
d1c0d179dc
|
We always give max 10k dets in qp_edit. Read-only if more
|
2019-08-22 19:43:34 +02:00 |
|
|
|
00f7397a47
|
Faster determinants in OCaml
|
2019-08-22 01:03:08 +02:00 |
|
|
|
6ee1e7b49e
|
Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
|
2019-08-21 17:18:03 +02:00 |
|
|
|
44a0c4a833
|
Merge branch 'master' into dev-lcpq
|
2019-08-21 16:31:15 +02:00 |
|
|
|
6148624fe7
|
Optimized qp_edit -n (#60)
|
2019-08-21 16:29:23 +02:00 |
|
|
|
3120017773
|
Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
|
2019-08-21 14:56:25 +02:00 |
|
Thomas Applencourt
|
8b14e190a9
|
Fix spurious EOF
|
2019-08-20 01:12:05 +02:00 |
|
|
|
3bd85aec2d
|
Merge branch 'master' into dev-lcpq
|
2019-08-19 20:17:50 +02:00 |
|
|
|
f4f75509db
|
Biblio (#58)
* Update biblio
* Update paper
* Journal missing in research.bib
|
2019-08-19 20:16:33 +02:00 |
|
|
|
fcade8c8f7
|
Fixed installation issues with OPAM
* Changed native into SSE4.2 in gfortran.cfg
* Fixed rm opam_installer
* Fixing opam installation
* Introduce NO_CACHE in configure for daily test
|
2019-08-19 20:11:39 +02:00 |
|
|
|
cd2b606daa
|
Biblio (#57)
* Update biblio
* Update paper
|
2019-08-19 18:57:43 +02:00 |
|
|
|
9fcdf9125b
|
Merge branch 'bugfix' into dev-lcpq
|
2019-08-19 18:40:42 +02:00 |
|
|
|
02500848d8
|
Introduce NO_CACHE in configure for daily test
|
2019-08-19 17:56:00 +02:00 |
|
|
|
c09c7592e8
|
Merge branch 'master' into bugfix
|
2019-08-19 17:55:11 +02:00 |
|
|
|
b65400c544
|
Update biblio (#55)
|
2019-08-19 13:14:01 +02:00 |
|
|
|
a8a43100a5
|
Exclude temp files in tar
|
2019-08-02 13:03:14 +02:00 |
|
|
|
2c0ad8ccc5
|
Reduced size of qp2.png
|
2019-08-02 12:41:24 +02:00 |
|
|
|
1e7f837d2f
|
Router/dealer in qp_tunnel
|
2019-08-01 12:11:10 +02:00 |
|
|
|
0950d03f09
|
Improving scaling of pt2 with network
|
2019-07-31 20:56:00 +02:00 |
|
|
|
d0419b4f0a
|
Fix configure
|
2019-07-31 16:25:23 +02:00 |
|
|
|
c34808d05c
|
Merge branch 'dev' into dev-lcpq
|
2019-07-26 12:41:10 +02:00 |
|
|
|
e498c21268
|
Merge branch 'master' into dev
|
2019-07-26 12:40:59 +02:00 |
|
|
|
faaba29eb7
|
Fix rm opam_installer.sh (#53)
* Changed native into SSE4.2 in gfortran.cfg
* Fixed rm opam_installer
|
2019-07-26 12:39:58 +02:00 |
|
|
|
dedd2b9087
|
Fixed rm opam_installer
|
2019-07-26 12:38:34 +02:00 |
|
|
|
b483783c13
|
Changed native into SSE4.2 in gfortran.cfg
|
2019-07-24 13:22:40 +02:00 |
|
|
|
133a05c683
|
Merge branch 'dev' into dev-lcpq
|
2019-07-24 13:18:23 +02:00 |
|
|
|
2db0173057
|
Merge branch 'master' into dev
|
2019-07-24 13:17:04 +02:00 |
|
|
|
ff3e5b2ac1
|
Force opam installation with OCaml 4.7.1
|
2019-07-24 13:05:12 +02:00 |
|
|
|
2e86462070
|
Update README.md
|
2019-07-24 12:56:45 +02:00 |
|
|
|
861aed9dd4
|
Update GITHUB.md
|
2019-07-24 12:40:05 +02:00 |
|
|
|
2f89be4ee9
|
Fixing travis
|
2019-07-24 12:33:08 +02:00 |
|
|
|
0007455846
|
Fixing travis
|
2019-07-24 10:27:39 +02:00 |
|
|
|
be6c9b533e
|
Fixing travis
|
2019-07-24 09:36:51 +02:00 |
|
|
|
c405dc99d3
|
Fixing travis
|
2019-07-24 09:07:49 +02:00 |
|
|
|
4e58fe7576
|
Typo
|
2019-07-24 08:12:22 +02:00 |
|
|
|
a8dbea61d3
|
Fixed opam installation
|
2019-07-24 08:11:17 +02:00 |
|
|
|
bf96d8c0c8
|
Renamed disk_access_nuclear_repulsion
|
2019-07-23 14:54:03 +02:00 |
|
|
|
edd2276b75
|
Fixed usleep
|
2019-07-09 17:33:44 +02:00 |
|
|
|
1120d572fa
|
Cleaning allocation of string
|
2019-07-09 17:18:05 +02:00 |
|
|
|
d9a88399d1
|
Merge branch 'master' into dev
|
2019-07-09 17:15:41 +02:00 |
|
