|
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 |
|
|
e0b06889c8
|
Cleaning
|
2019-07-09 17:15:30 +02:00 |
|
|
a6c95879de
|
Merge pull request #50 from QuantumPackage/bugfix
Fix bug with deterministic PT2
|
2019-07-09 14:34:11 +02:00 |
|
|
3763767f77
|
Fix bug with deterministic PT2
|
2019-07-09 13:40:06 +02:00 |
|
|
3967b197fa
|
Biblio
|
2019-07-03 08:29:59 +02:00 |
|
|
4f7eefccfd
|
Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
|
2019-07-01 12:15:04 +02:00 |
|
|
2794b889d5
|
Fixed travis
|
2019-07-01 12:14:52 +02:00 |
|
|
ecf8e0bb96
|
Biblio
|
2019-06-24 09:08:34 +02:00 |
|
|
03003690ed
|
Documentation
|
2019-06-21 12:08:58 +02:00 |
|
|
e6eb789ab3
|
Dev lcpq (#49)
* Add energy components
* Fixed beta_rs
* Update do_single_excitation
|
2019-06-17 17:12:17 -05:00 |
|
|
72f920e111
|
Update do_single_excitation
|
2019-06-17 19:21:01 +02:00 |
|
|
9717223a4d
|
Fixed beta_rs
|
2019-06-17 09:44:01 +02:00 |
|
|
5cb411d364
|
Add energy components
|
2019-06-17 09:39:05 +02:00 |
|
|
b28273ce8d
|
Merge branch 'dev-lct' of github.com:QuantumPackage/qp2 into dev-lct
|
2019-06-15 00:46:29 +02:00 |
|
Emmanuel Giner LCT
|
f877b41ef5
|
added kinetic density
|
2019-06-15 00:45:51 +02:00 |
|
Emmanuel Giner LCT
|
35f7f7b773
|
added scan functional
|
2019-06-15 00:45:51 +02:00 |
|
|
191d8ff0af
|
Added qp_tunnel
|
2019-06-15 00:43:09 +02:00 |
|
|
7cb3321152
|
Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev
|
2019-06-15 00:42:04 +02:00 |
|
|
6479c294e8
|
Updated documentation
|
2019-06-15 00:29:13 +02:00 |
|
|
51f81843a6
|
Updated documentation
|
2019-06-15 00:20:35 +02:00 |
|
Emmanuel Giner LCT
|
a6bff0220f
|
added kinetic density
|
2019-06-13 19:07:01 +02:00 |
|
Emmanuel Giner LCT
|
244b130a72
|
added scan functional
|
2019-06-13 15:58:04 +02:00 |
|
Anthony Scemama
|
5d6a3201fe
|
Merge pull request #48 from QuantumPackage/master
Merge release version
|
2019-06-11 11:53:47 +02:00 |
|
Anthony Scemama
|
2026a1d11f
|
Merge pull request #46 from QuantumPackage/dev-lct
Dev lct
|
2019-06-11 11:16:33 +02:00 |
|
|
da0ce1e11f
|
Added bibtex entry
|
2019-06-11 10:47:03 +02:00 |
|
Emmanuel Giner LCT
|
c568f0b943
|
Merge branch 'master' into dev-lct
|
2019-06-08 16:40:13 +02:00 |
|
Emmanuel Giner LCT
|
de0802a56d
|
Merge branch 'dev-lcpq' into dev-lct
|
2019-06-08 16:39:38 +02:00 |
|
Emmanuel Giner LCT
|
ff4f6d1c98
|
modifs in ec_lyp
|
2019-06-08 16:39:12 +02:00 |
|
Anthony Scemama
|
231b071d78
|
Merge pull request #45 from QuantumPackage/dev-lcpq
Dev lcpq
|
2019-06-08 16:24:33 +02:00 |
|
|
22ab996d00
|
Merge branch 'anbenali-Fix_Bug_ECP'
|
2019-06-08 15:52:55 +02:00 |
|
|
00375418e5
|
Merge branch 'Fix_Bug_ECP' of https://github.com/anbenali/qp2 into anbenali-Fix_Bug_ECP
|
2019-06-08 15:52:33 +02:00 |
|
|
cf4f9990bc
|
Updated citation.ccf
|
2019-06-08 15:44:18 +02:00 |
|
|
c7dedf49ed
|
More efficient multi-state selection
|
2019-06-08 15:14:57 +02:00 |
|
|
4c5759fe6f
|
Modified README
|
2019-06-08 15:14:38 +02:00 |
|
|
c7ef5fc8c7
|
Fixed tests
|
2019-06-05 18:57:17 +02:00 |
|
|
3c6b417ae7
|
Type conversion
|
2019-06-05 18:00:04 +02:00 |
|
|
9c028127a0
|
Updated configure
|
2019-06-05 17:48:19 +02:00 |
|
|
ab10efa313
|
Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
|
2019-06-05 17:39:13 +02:00 |
|
|
f36629173d
|
Updated configure
|
2019-06-05 17:39:01 +02:00 |
|
|
8a127a9bab
|
added selection_weight to fci slave
|
2019-06-05 17:34:36 +02:00 |
|
|
8cdcd08579
|
Merge branch 'dev-lcpq' of github.com:QuantumPackage/qp2 into dev-lcpq
|
2019-06-05 17:28:46 +02:00 |
|
|
720a63aadf
|
Bubblewrap and libcap install scripts
|
2019-06-05 17:28:15 +02:00 |
|
|
b71579ab43
|
Moved print_e_components
|
2019-06-05 16:17:53 +02:00 |
|
|
7c285bddf3
|
Printing of components of energy:
|
2019-06-05 15:38:05 +02:00 |
|
|
453cfa0b65
|
Improved weights
|
2019-06-05 15:07:36 +02:00 |
|
Emmanuel Giner LCT
|
71c186e67a
|
added gradients of the squared of the total density
|
2019-06-04 19:35:09 +02:00 |
|