|
|
609e82f5cc
|
Modernized for zmq 4.2.5 and python2
|
2018-07-09 14:40:45 +02:00 |
|
|
|
a07c4a98f2
|
ZMQ -> zmq
|
2018-06-04 10:26:49 +02:00 |
|
|
|
b9a69fa62d
|
Missing files
|
2018-03-15 09:35:36 +01:00 |
|
|
|
507c83b87b
|
Modern OCaml
|
2018-03-14 17:02:52 +01:00 |
|
|
|
06e68216fb
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2018-03-14 16:52:38 +01:00 |
|
|
|
550c180cb4
|
Changes for Theta
|
2017-11-29 19:48:28 +01:00 |
|
|
|
2e0370822d
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2017-11-09 15:08:19 +01:00 |
|
|
|
acde03a045
|
Works again for H
|
2017-11-09 14:57:51 +01:00 |
|
|
|
c10217157c
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2017-10-20 17:15:55 +02:00 |
|
|
|
7883be32c1
|
Removed ZMQ unbind
|
2017-10-12 17:59:08 +02:00 |
|
|
|
074bfc1705
|
Fixed duration of a block
|
2017-10-12 15:51:15 +02:00 |
|
|
|
cf003c3e08
|
DGEMV
|
2017-10-10 10:26:23 +02:00 |
|
|
|
8f978d95c2
|
Update for OCaml 4.04
|
2017-10-10 09:39:58 +02:00 |
|
|
|
9d186b3759
|
DGEMV for dense matrices
|
2017-10-09 21:39:00 +02:00 |
|
|
|
da03903782
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2017-10-09 19:59:13 +02:00 |
|
|
|
0e2ee815f6
|
Unused variable
|
2017-09-05 17:39:11 +02:00 |
|
|
|
a89daa602b
|
Added header to inverse
|
2017-07-18 18:08:34 +02:00 |
|
|
|
fed153e513
|
New IRPF90
|
2017-06-14 01:11:26 +02:00 |
|
|
|
b3ca85eb2d
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2017-03-26 21:37:20 +02:00 |
|
|
|
d783b19cc8
|
ZMQ versio update
|
2017-03-26 21:36:23 +02:00 |
|
|
|
c59606bb36
|
Removed useless property
|
2016-12-29 01:48:59 +01:00 |
|
|
|
a1192beb8b
|
Promela model
|
2016-12-29 01:43:34 +01:00 |
|
|
|
cd0ac76bae
|
Merge branch 'master' into develop
Conflicts:
src/SAMPLING/pdmc_step.irp.f
|
2016-12-28 17:00:15 +01:00 |
|
|
|
bb4b75e86b
|
Fixed Bug when block is too long
|
2016-12-28 16:57:53 +01:00 |
|
|
|
4c42654401
|
Cleaned PDMC
|
2016-11-28 19:45:09 +01:00 |
|
|
|
dc187bea73
|
Merge branch 'feature/zveloc' into develop
|
2016-11-28 15:08:59 +01:00 |
|
|
|
dcf19db6d6
|
Commented prefetch instructions
|
2016-11-28 15:08:55 +01:00 |
|
|
|
b577984de6
|
Updated ZMQ
|
2016-10-03 00:34:42 +02:00 |
|
|
|
7806f6df53
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2016-07-28 13:11:13 +02:00 |
|
|
|
8733aa742e
|
Removed check of Jastrow and pseudo
|
2016-07-25 13:52:49 +02:00 |
|
|
|
d71c80afca
|
Added D and F spherical harmonics in pseudo
|
2016-07-21 16:06:40 +02:00 |
|
|
|
f5c4500770
|
Merge branch 'develop' into feature/zveloc
Conflicts:
src/PROPERTIES/properties_general.irp.f
|
2016-07-01 21:57:42 +02:00 |
|
|
|
619db89adc
|
Conflicts:
src/PROPERTIES/properties_general.irp.f
|
2016-07-01 21:56:15 +02:00 |
|
|
|
7b9dbb84c1
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2016-06-24 23:23:32 +02:00 |
|
|
|
fa84ab6fa2
|
Bugs in SRMC corrected
|
2016-06-24 09:28:06 +02:00 |
|
|
|
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 |
|
