|
|
59d0186209
|
Optimizations and better time step error
|
2016-06-24 09:18:50 +02:00 |
|
|
|
314f0609ac
|
Merge branch 'develop' into feature/zveloc
|
2016-06-24 09:14:33 +02:00 |
|
|
|
ec1b794893
|
Better time step error
|
2016-06-24 09:14:18 +02:00 |
|
|
|
1a001e620b
|
Better time step error in SRMC
|
2016-06-24 09:11:37 +02:00 |
|
|
|
3b101c0b8a
|
Removed useless things from EZFIO
|
2016-06-22 23:18:21 +02:00 |
|
|
|
beae2ab7bf
|
GCC 5.3.1
|
2016-06-18 22:40:22 +02:00 |
|
|
|
55bf56760a
|
Bug in gcc version with GCC 5 corrected
|
2016-06-18 01:05:55 +02:00 |
|
|
|
076803da1a
|
noprefetch
|
2016-06-10 00:20:01 +02:00 |
|
|
|
72baed17c2
|
SIMD
|
2016-06-06 18:58:46 +02:00 |
|
|
|
f88fc822d9
|
Optimized mod(0)
|
2016-06-06 18:21:32 +02:00 |
|
|
|
b5f2e62421
|
DIR$ SIMD
|
2016-06-04 00:48:50 +02:00 |
|
|
|
2efdfa26e9
|
Optimized det (mod4)
|
2016-06-04 00:04:40 +02:00 |
|
|
|
56cd62957a
|
Optimized det (mod1)
|
2016-06-03 15:05:17 +02:00 |
|
|
|
5c872ed2aa
|
Specific det_updates up to 150x150
|
2016-06-03 14:50:08 +02:00 |
|
|
|
6208018b4a
|
Split mo_grad_lapl in alpha/beta
|
2016-06-03 14:19:35 +02:00 |
|
|
|
052b2db389
|
Removed padding in sparse_full_mv
|
2016-06-03 14:14:27 +02:00 |
|
|
|
033025c0ea
|
Prefetch in sparse-full-mv
|
2016-06-03 13:54:23 +02:00 |
|
|
|
3ccee1b3f0
|
Prefetch in sparse-full-mv
|
2016-06-03 13:51:01 +02:00 |
|
|
|
0e243a8afc
|
Merged outer loop in sparse_full_mv
|
2016-06-03 11:53:34 +02:00 |
|
|
|
837c5bbbf7
|
Removed LOOP_COUNT directives
|
2016-06-03 11:52:24 +02:00 |
|
|
|
605ee8018c
|
ZV estimator
|
2016-05-26 19:58:43 +02:00 |
|
|
|
09bf6140c8
|
General diag
|
2016-05-09 09:21:10 +02:00 |
|
|
|
ca21d44409
|
Generalized n_diag
|
2016-05-07 00:58:45 +02:00 |
|
|
|
3b94f15bce
|
E_diag
|
2016-05-06 23:15:38 +02:00 |
|
|
|
bb774c319f
|
Separated PDMC and SRMC
|
2016-05-03 21:10:25 +02:00 |
|
|
|
2d269aa1fc
|
Created pdmc_weight
|
2016-05-03 09:15:43 +02:00 |
|
|
|
b6b9a85cb2
|
Added E_trial
|
2016-05-03 09:01:05 +02:00 |
|
|
|
54f2bae5f6
|
Added operators on random variables
|
2016-05-02 21:51:09 +02:00 |
|
|
|
571df84d9d
|
ZV energy
|
2016-05-02 21:19:36 +02:00 |
|
|
|
8cc2c6a24b
|
Implemented ZV DMC
|
2016-05-02 10:52:29 +02:00 |
|
Anthony Scemama
|
a95f908c5c
|
Update README.md
|
2016-04-08 14:41:14 +02:00 |
|
|
|
05f5d463a6
|
MO fitcusp renormalization was wrong
|
2016-04-06 22:44:50 +02:00 |
|
|
|
99c38c83f6
|
Removed debugging print
|
2016-04-05 12:07:02 +02:00 |
|
|
|
0d5d317a85
|
Corrected bug in walkers
|
2016-04-05 11:52:04 +02:00 |
|
|
|
3826062b88
|
Less walkers traffic
|
2016-04-05 00:48:37 +02:00 |
|
|
|
321c969b0e
|
Repaired ocaml installation
|
2016-03-29 15:58:12 +02:00 |
|
|
|
9178b51733
|
Merge branch 'develop'
message to explain why this merge is necessary,
|
2016-03-29 15:25:51 +02:00 |
|
|
|
6f3ac7fa29
|
Better prepare_walkers
|
2016-03-29 15:20:03 +02:00 |
|
|
|
22cadde5a1
|
Merge branch 'hotfix/norm' into develop
|
2016-03-28 15:42:48 +02:00 |
|
|
|
e791273547
|
Merge branch 'hotfix/norm'
|
2016-03-28 15:42:36 +02:00 |
|
|
|
886b041c03
|
Removed normalization of the AOs
|
2016-03-28 15:42:24 +02:00 |
|
Anthony Scemama
|
b8f36ded55
|
Merge pull request #2 from scemama/develop
Merge develop branch
|
2016-03-17 16:01:17 +01:00 |
|
|
|
756f2ccea4
|
Added Rousset FKMC algorithm
|
2016-03-17 15:56:24 +01:00 |
|
|
|
194b1f750c
|
Changed norm of MOs when the fitcusp is used
|
2016-03-17 15:41:47 +01:00 |
|
|
|
caf22663b5
|
Changed sexplib.syntax to pa_sexp_conv
|
2016-03-17 15:32:17 +01:00 |
|
|
|
1df8e21ee8
|
Random port
|
2016-03-17 15:27:31 +01:00 |
|
|
|
58b58acf45
|
Storing PID in tmpdir
|
2016-03-05 00:25:39 +01:00 |
|
|
|
b66cddbe4d
|
Cleaning after Ctrl-C
|
2016-03-03 13:57:33 +01:00 |
|
|
|
453a29d607
|
Try except to clean tmpdir
|
2016-03-03 13:39:06 +01:00 |
|
|
|
517fd0898c
|
Merge branch 'master' into develop
|
2016-02-19 11:22:23 +01:00 |
|
