Francois Coppens
9d7c73ace4
First attempt at replacing SM-calls to QMCKL/SMW calls.
...
- Doing QMCkl/SM_slagels splitting of a single SM update works.
TODO:
- Make it more efficient in terms of array handling
- Restructure calling routing above so all updates can be sent to QMCKL/SMW in one go.
2021-10-11 15:38:12 +02:00
8471cb050a
Fixed dmc_dress
2021-09-07 18:48:30 +02:00
2381c904db
Fixed bug without pseudos
2021-09-01 19:23:58 +02:00
4cbb4f6a2d
Merge branch 'master' of gitlab.com:scemama/qmcchem
2021-08-31 11:39:53 +02:00
52e6ef08f8
Fixed det_beta_num_8 -> elec_beta_num_8 dimension in pseudo
2021-08-26 11:41:32 +02:00
bbb67f88b5
DMC dressing
2021-08-24 17:45:47 +02:00
0898c98575
Fast SVD
2021-06-21 14:30:29 +02:00
3815c4ef35
Swaps in determinants
2021-06-07 23:41:37 +02:00
248545e558
DIR -> OMP
2021-05-31 14:01:33 +02:00
7088c263be
Updates
2019-07-01 11:32:01 +02:00
acde03a045
Works again for H
2017-11-09 14:57:51 +01:00
074bfc1705
Fixed duration of a block
2017-10-12 15:51:15 +02:00
cf003c3e08
DGEMV
2017-10-10 10:26:23 +02:00
9d186b3759
DGEMV for dense matrices
2017-10-09 21:39:00 +02:00
dcf19db6d6
Commented prefetch instructions
2016-11-28 15:08:55 +01:00
3b101c0b8a
Removed useless things from EZFIO
2016-06-22 23:18:21 +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
4981bbe9e2
Fixed non-compiling bugs
2015-12-20 01:29:59 +01:00
0bacfffb32
build.ninja in ocaml
2015-12-20 01:21:51 +01:00
ea185b405f
Added some .irp.f files
2015-12-19 03:29:52 +01:00
