|
|
5657597900
|
Introduced psi_det_tmp
|
2020-07-17 21:19:06 +02:00 |
|
|
|
5db05a2aee
|
Add routines for CI optimization
|
2020-07-17 13:05:34 +02:00 |
|
|
|
a4f49f04c5
|
CI Overlap matrix
|
2020-07-14 15:07:17 +02:00 |
|
|
|
4ad08c8c03
|
Order blocks by block_id
|
2020-06-02 00:19:45 +02:00 |
|
|
|
89bd9d9c7f
|
Removed merging on same compute node
|
2020-06-01 23:59:27 +02:00 |
|
|
|
b389056421
|
Fixed rmin, rmax
|
2020-06-01 23:51:37 +02:00 |
|
|
|
5d715b95d1
|
Removed merging on same compute node
|
2020-06-01 23:30:07 +02:00 |
|
|
|
b837d4f346
|
Avoid pseudo explosion
|
2020-05-26 01:46:14 +02:00 |
|
|
|
9b191eaa7b
|
More precise Ylm
|
2020-05-24 03:02:00 +02:00 |
|
|
|
e9706cee7a
|
Fixed exploding energies with pseudos
|
2020-05-11 13:49:07 +02:00 |
|
|
|
f41412658e
|
Jastrow optimization script
|
2020-05-04 12:13:06 +02:00 |
|
|
|
21a3b36f79
|
Tail recursion
|
2020-04-16 00:42:51 +02:00 |
|
|
|
9fede1e06c
|
Fixed do_run
|
2020-04-15 23:59:17 +02:00 |
|
|
|
dcd4e923d4
|
atexit
|
2020-04-15 23:24:54 +02:00 |
|
|
|
b12ac1be79
|
Read all EZFIO in memory before run starts
|
2020-04-15 19:25:43 +02:00 |
|
|
|
5deb4bef6b
|
Changed List.map to List.rev_map
|
2020-04-15 14:40:33 +02:00 |
|
|
|
81a329dbfb
|
Merge branch 'master' of gitlab.com:scemama/qmcchem
|
2020-04-15 00:09:29 +02:00 |
|
|
|
ce59398727
|
IRPv2
|
2020-04-15 00:07:30 +02:00 |
|
|
|
685e883979
|
Adapted for EZFIO 2.0
|
2020-04-14 19:14:21 +02:00 |
|
|
|
bf18e143a4
|
Generation of qmcchemrc
|
2020-04-14 18:28:22 +02:00 |
|
|
|
61d746713e
|
Added properties_ci
|
2020-04-14 18:19:51 +02:00 |
|
|
|
0eb72b9bce
|
Fixed walkers pool
|
2019-12-17 11:22:52 +01:00 |
|
|
|
0485afda6f
|
Fixing walkers
|
2019-12-17 11:10:34 +01:00 |
|
|
|
2cc2d713bc
|
Fixed scheduler bug
|
2019-12-17 09:08:39 +01:00 |
|
|
|
4e9d9f0da4
|
Option bug in qmcchem edit
|
2019-12-16 19:24:58 +01:00 |
|
|
|
161900c87a
|
Bug fixes
|
2019-10-01 10:58:43 +02:00 |
|
|
|
be84027a8c
|
Fixed Makefiles
|
2019-10-01 09:36:29 +02:00 |
|
|
|
1e99c27416
|
Merge lpqdh82.ups-tlse.fr:qmcchem into core
|
2019-09-30 20:10:20 +02:00 |
|
|
|
e0e7c73adc
|
Compiling
|
2019-09-30 20:09:54 +02:00 |
|
|
|
f26b8fd9c5
|
Fixed qp_types
|
2019-09-30 17:03:19 +02:00 |
|
|
|
cb7d8a1e4f
|
Fixed OCaml
|
2019-09-27 15:20:02 +02:00 |
|
|
|
35a083f6f3
|
Bugfix
|
2019-07-31 15:07:04 +02:00 |
|
|
|
b0fa735311
|
Fixing small bugs
|
2019-07-23 17:42:55 +02:00 |
|
|
|
f7ffed3a5a
|
Seems to work again
|
2019-07-23 17:34:58 +02:00 |
|
|
|
380169d219
|
Fixing Ocaml
|
2019-07-23 17:27:02 +02:00 |
|
|
|
5e25738f53
|
Removed core
|
2019-07-22 12:19:12 +02:00 |
|
|
|
b14fe1dc34
|
Removing core
|
2019-07-22 11:51:14 +02:00 |
|
|
|
a13410d277
|
Removing core
|
2019-07-21 07:37:44 +02:00 |
|
|
|
a719c694ce
|
Removing core
|
2019-07-19 11:46:29 +02:00 |
|
|
|
4c870cb62b
|
Removing core
|
2019-07-17 19:10:22 +02:00 |
|
|
|
16acf1fe89
|
Removed core
|
2019-07-17 11:49:34 +02:00 |
|
|
|
5befb6dfe9
|
Fixing
|
2019-07-01 13:19:27 +02:00 |
|
|
|
7088c263be
|
Updates
|
2019-07-01 11:32:01 +02:00 |
|
|
|
cc0620ee32
|
Fixed zmq_ezfio
|
2018-09-12 09:34:51 +02:00 |
|
|
|
3c0d404661
|
Fixed BeH with pseudos
|
2018-07-16 18:48:42 +02:00 |
|
|
|
1e9b94374f
|
Merge branch 'master' of github.com:scemama/qmcchem
|
2018-07-13 11:37:21 +02:00 |
|
|
|
38933ba9c8
|
Fixed explosion of population for BeH
|
2018-07-13 11:36:50 +02:00 |
|
|
|
fe9209e7de
|
Update on Olympe
|
2018-07-13 10:05:51 +02:00 |
|
|
|
f2fb5fec11
|
Downgraded dependencies
|
2018-07-09 19:57:05 +02:00 |
|
|
|
87fed8350a
|
Fixed OCaml
|
2018-07-09 19:21:59 +02:00 |
|
