|
|
177bcb0854
|
Corrected pseudos
|
2016-04-04 12:25:47 +02:00 |
|
|
|
809cf9b045
|
Added more atoms in pseudo
|
2016-04-04 11:48:13 +02:00 |
|
|
|
a871bc451b
|
Merge branch 'master' into develop
|
2016-04-04 11:03:31 +02:00 |
|
|
|
e125ab3e0e
|
Added Trail-Needs small core pseudos
|
2016-04-03 18:19:35 +02:00 |
|
|
|
1754dfaca7
|
Added Trail-Needs pseudopotentials
|
2016-04-03 17:08:34 +02:00 |
|
|
|
f0fc7dd39f
|
Fixed tests
|
2016-04-02 00:10:27 +02:00 |
|
|
|
d20c63f0fe
|
Forgot H_apply
|
2016-04-01 23:46:24 +02:00 |
|
|
|
27b7c34106
|
MRCC+PT2
|
2016-04-01 23:33:58 +02:00 |
|
|
|
dd8647d5aa
|
Introduced provider for psi_ref_coef_normalized
|
2016-04-01 01:32:23 +02:00 |
|
|
|
3b2735886e
|
Test in lambda
|
2016-04-01 00:05:44 +02:00 |
|
|
|
fcd0b39077
|
Updated tests
|
2016-03-31 16:51:58 +02:00 |
|
|
|
1ae3e9b5f4
|
Official Lambda_MRCC
|
2016-03-31 16:48:23 +02:00 |
|
|
|
39d4186d28
|
Removed extra MRCC iteration
|
2016-03-31 11:51:25 +02:00 |
|
|
|
af3038f995
|
Repaired tests
|
2016-03-31 11:08:24 +02:00 |
|
|
|
650c67911f
|
Repaired tests
|
2016-03-31 11:05:39 +02:00 |
|
|
|
2cd7922b81
|
changed lambda mrcc
|
2016-03-31 10:59:46 +02:00 |
|
|
|
9ccfca6a07
|
Merge branch 'garniron-master'
|
2016-03-31 10:51:41 +02:00 |
|
|
|
c05bbc8758
|
Corrected MRCC bug
Conflicts:
plugins/MRCC_Utils/mrcc_utils.irp.f
|
2016-03-31 10:51:09 +02:00 |
|
Yann Garniron
|
1469822e94
|
corrected bug in MRCC
|
2016-03-31 10:40:39 +02:00 |
|
|
|
71e7c51608
|
Added mrcc_noiter
|
2016-03-30 21:34:53 +02:00 |
|
|
|
a196526f8c
|
Improved MRCC
|
2016-03-30 21:33:38 +02:00 |
|
Yann Garniron
|
c7de30e580
|
microlist for MRCC
|
2016-03-30 17:37:22 +02:00 |
|
garniron
|
0c6f650323
|
Merge pull request #10 from scemama/master
merge with scemama
|
2016-03-30 09:23:19 +02:00 |
|
|
|
7587b2bff9
|
Merge branch 'master' into develop
|
2016-03-30 01:21:48 +02:00 |
|
|
|
45b3a98e4e
|
Fixed MRCC test
|
2016-03-30 01:21:36 +02:00 |
|
|
|
c504518542
|
MRCC acceleration
|
2016-03-29 23:18:26 +02:00 |
|
|
|
a6911ff85b
|
Fixed compilation
|
2016-03-29 21:16:40 +02:00 |
|
|
|
11493e7082
|
Repaired Ocaml installation
|
2016-03-29 16:00:02 +02:00 |
|
|
|
37f091845c
|
Updated lambda MRCC
|
2016-03-29 14:13:02 +02:00 |
|
|
|
57709397d1
|
Cleaning
|
2016-03-28 23:45:25 +02:00 |
|
|
|
d6b970e8a7
|
Auto-generation of libint required files
|
2016-03-22 13:28:03 +01:00 |
|
Anthony Scemama
|
064998dba7
|
Merge pull request #33 from TApplencourt/master
Libint
|
2016-03-07 20:47:25 +01:00 |
|
|
|
60d253ca4e
|
Merge branch 'master' into develop
|
2016-03-07 20:41:48 +01:00 |
|
TApplencourt
|
b521a8d015
|
Merge branch 'master' of github.com:TApplencourt/quantum_package
|
2016-03-07 20:35:56 +01:00 |
|
TApplencourt
|
eec846e127
|
Fix libint integral
|
2016-03-07 20:35:38 +01:00 |
|
Thomas Applencourt
|
7613488976
|
Merge pull request #38 from scemama/master
Good
|
2016-03-07 20:33:50 +01:00 |
|
|
|
6b3ba6a99e
|
Fixed QMCPACK bugs (Issue #154)
|
2016-03-07 20:13:43 +01:00 |
|
|
|
8720911ef7
|
Fixed QMCPACK bugs
|
2016-03-07 19:47:26 +01:00 |
|
TApplencourt
|
17992cc1ea
|
Add eigen in libint in configure script
|
2016-03-07 18:23:22 +01:00 |
|
TApplencourt
|
67be38f588
|
Add .cc
|
2016-03-07 17:32:33 +01:00 |
|
TApplencourt
|
9f298cf670
|
Working libint
|
2016-03-07 17:28:07 +01:00 |
|
TApplencourt
|
92094534e2
|
Fix qmc pack converter
|
2016-03-07 10:51:11 +01:00 |
|
TApplencourt
|
f20e735a18
|
Merging
|
2016-03-04 18:33:04 +01:00 |
|
TApplencourt
|
ca49adfa89
|
First try of libint
|
2016-03-04 18:29:59 +01:00 |
|
Thomas Applencourt
|
7c0c3e0391
|
Merge pull request #153 from scemama/master
Fixed #152 and corrected qp_edit bug
|
2016-03-04 13:57:19 +01:00 |
|
|
|
e1707d4313
|
Merge branch 'master' into develop
|
2016-03-04 12:19:51 +01:00 |
|
|
|
58cfe027d4
|
Merge branch 'LCPQ-master'
|
2016-03-04 12:14:09 +01:00 |
|
|
|
46e7005e7b
|
Fixed #152
|
2016-03-04 12:11:38 +01:00 |
|
|
|
5dd55ffab9
|
Corrected bug in qp_edit determinants
|
2016-03-04 11:58:22 +01:00 |
|
Thomas Applencourt
|
fb0e6a9d86
|
Merge pull request #149 from scemama/master
Distributed PT2
|
2016-03-04 11:56:02 +01:00 |
|
