|
|
1d2cdbf53d
|
Merge branch 'master' of github.com:LCPQ/quantum_package
|
2018-02-21 16:47:05 +01:00 |
|
|
|
8524f43715
|
Fixed dependencies in modules
|
2018-02-21 16:45:51 +01:00 |
|
|
|
187d7dc66f
|
Moved DavidsonDressed in plugins
|
2018-02-19 15:14:17 +01:00 |
|
Thomas Applencourt
|
60a55b1215
|
Add a symlink lib64->lib (#231)
|
2018-02-16 21:57:20 +01:00 |
|
|
|
218f39770c
|
Cleaning
|
2018-02-16 17:29:24 +01:00 |
|
|
|
ab0eb1256b
|
Fixed state_average_weight.gz different from array
|
2018-02-15 12:00:45 +01:00 |
|
|
|
ee53802402
|
Moved DavdisonDressed in plugins
|
2018-02-09 19:32:04 +01:00 |
|
|
|
0f75e345c0
|
Forgot files
|
2018-02-09 18:23:05 +01:00 |
|
|
|
d8b94c0473
|
Fixed travis
|
2018-02-09 17:59:50 +01:00 |
|
|
|
572639e632
|
Renaming of modules
|
2018-02-09 17:19:23 +01:00 |
|
|
|
ff4938bfde
|
FIxed AllSingles
|
2018-02-09 16:09:04 +01:00 |
|
|
|
ea78d114d9
|
Fixed double declaration of dressing vector
|
2018-02-09 16:06:57 +01:00 |
|
|
|
d1a1c359f4
|
Missing file
|
2018-02-09 15:55:21 +01:00 |
|
|
|
08c2a46f44
|
Fix travis
|
2018-02-08 23:05:17 +01:00 |
|
|
|
8e689236be
|
Forgot files
|
2018-02-08 22:22:21 +01:00 |
|
|
|
e44c040434
|
Fixed travis
|
2018-02-08 22:16:58 +01:00 |
|
|
|
5f6349e7ac
|
Generalized Davdison for dressed methods
|
2018-02-08 17:48:47 +01:00 |
|
|
|
eeaad3a3b5
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-02-05 14:47:31 +01:00 |
|
Anthony Scemama
|
61e65babd3
|
Fix for #227 (#228)
* Fixes #223
* Upgrade to OCaml 4.06 and Core 0.10
* Fixes #223 (#226) (#61)
* Fixed qp_edit
|
2018-01-22 02:45:17 +01:00 |
|
|
|
cee0b40463
|
Fixed qp_edit
|
2018-01-22 01:46:46 +01:00 |
|
Anthony Scemama
|
d305f14c6e
|
Fixes #223 (#226) (#61)
|
2018-01-22 01:22:50 +01:00 |
|
|
|
35708de944
|
Upgrade to OCaml 4.06 and Core 0.10
|
2018-01-22 01:20:06 +01:00 |
|
Anthony Scemama
|
2d8b0089f3
|
Fixes #223 (#226)
|
2018-01-13 18:43:34 +01:00 |
|
|
|
02161df6d0
|
Fixes #223
|
2018-01-13 18:15:12 +01:00 |
|
Thomas Applencourt
|
b903b9905b
|
Merge pull request #224 from scemama/master
Fixes #223
|
2018-01-12 16:35:12 -06:00 |
|
|
|
d31cca38df
|
Fixes #223
|
2018-01-12 21:42:37 +01:00 |
|
|
|
5d0dbb304a
|
Memo
|
2018-01-11 10:08:11 +01:00 |
|
Thomas Applencourt
|
df3963d1f4
|
Merge pull request #222 from scemama/master
Bug fixes
|
2018-01-10 14:20:24 -06:00 |
|
|
|
2550047bb2
|
Fixed mrcc stoch
|
2018-01-10 19:30:02 +01:00 |
|
|
|
30235b45a1
|
Merge branch 'master' of github.com:scemama/quantum_package
|
2018-01-10 19:11:08 +01:00 |
|
|
|
9103c6cf52
|
Fixed multi-state
|
2018-01-10 18:55:08 +01:00 |
|
|
|
09ec85f5e9
|
SCF
|
2018-01-10 16:54:12 +01:00 |
|
|
|
a1415feab7
|
Bug H_Core guess
|
2018-01-09 17:34:15 +01:00 |
|
|
|
5e54333e0f
|
Merge branch 'master' of github.com:LCPQ/quantum_package
|
2018-01-08 18:27:36 +01:00 |
|
|
|
9d1ab2848d
|
Fixed linear-dep threshold
|
2018-01-08 18:26:51 +01:00 |
|
Anthony Scemama
|
41b774c064
|
Distributed davidson may have a bug...
|
2018-01-08 13:41:16 +01:00 |
|
|
|
a68f3bb909
|
Fixed travis
|
2018-01-05 18:15:34 +01:00 |
|
|
|
79f6285472
|
Fixed nuclei.irp.f
|
2018-01-05 14:39:19 +00:00 |
|
|
|
b88a0eac78
|
Removed output variables
|
2018-01-05 14:38:32 +00:00 |
|
|
|
ddc2dd44e9
|
Switched back to old 4-idx
|
2018-01-05 15:32:32 +01:00 |
|
|
|
792288600d
|
Minor changes
|
2018-01-05 15:31:08 +01:00 |
|
|
|
ee8d6db3c1
|
Correct end of line in basis file
|
2017-12-29 16:06:35 +01:00 |
|
|
|
49d85cf27c
|
State-average weights and Zsh fix
|
2017-12-21 22:59:27 +01:00 |
|
Thomas Applencourt
|
cfe0d25d03
|
Merge pull request #220 from scemama/master
Avoid using Core v0.10.0 and stick to v0.9.1
|
2017-12-20 18:10:08 -06:00 |
|
Anthony Scemama
|
37c07671da
|
Fix broken QMCPack pseudo (#219) (#59)
* Fixes #211
* Removed debug print
* Revert input coordinates
* Fix MPI
* Multi-state modification for qmcpack
* Removed useless file
* Fixed QMCPack pseudo bug
|
2017-12-21 00:40:30 +01:00 |
|
|
|
4a04e769c5
|
pin old core library
|
2017-12-20 18:02:55 +01:00 |
|
Anthony Scemama
|
279c225f3b
|
Fix broken QMCPack pseudo (#219)
* Fixes #211
* Removed debug print
* Revert input coordinates
* Fix MPI
* Multi-state modification for qmcpack
* Removed useless file
* Fixed QMCPack pseudo bug
|
2017-12-19 23:14:03 +01:00 |
|
|
|
417e6d2027
|
Merge branch 'master' of github.com:LCPQ/quantum_package
|
2017-12-19 22:21:34 +01:00 |
|
|
|
e8df53857a
|
Fixed QMCPack pseudo bug
|
2017-12-19 22:19:29 +01:00 |
|
Anthony Scemama
|
e70bf2800e
|
Multi-state in qmcpack (#218)
* Fixes #211
* Removed debug print
* Revert input coordinates
* Fix MPI
* Multi-state modification for qmcpack
* Removed useless file
|
2017-12-19 18:33:34 +01:00 |
|
