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qmcchem
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256 Commits 8 Branches 2 Tags 1.8 MiB
Commit Graph

95 Commits

Author SHA1 Message Date
Anthony Scemama 9cd20a46e7 Added Weight 2022-03-06 15:16:02 +01:00
Anthony Scemama ef210f771c Merge branch 'master' of gitlab.com:scemama/qmcchem 
Conflicts:
	ocaml/Qmcchem_dataserver.ml
 2022-01-12 23:21:45 +01:00
Anthony Scemama adce2efde7 Longer timeout 2022-01-12 23:19:44 +01:00
Anthony Scemama 471d01e118 Faster network transfers 2022-01-12 19:05:15 +01:00
Anthony Scemama 70dbec8ab8 Fix running averages 2022-01-12 14:43:29 +01:00
Anthony Scemama bb64e47ac9 Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-12 12:49:02 +01:00
Anthony Scemama 97e47f8a85 Accelerated qmcchem result 2022-01-12 12:48:08 +01:00
Anthony Scemama 46c66f5a63 Accelerated qmcchem result 2022-01-12 00:39:43 +01:00
Anthony Scemama 6798019161 Binary output 2022-01-11 22:19:11 +01:00
Anthony Scemama ca7f0f0171 Working on binary I/O 2022-01-11 14:50:20 +01:00
Anthony Scemama dfbbf8b329 Working on binary input 2022-01-11 13:41:13 +01:00
Anthony Scemama 5b1379fd9c Implemented to_bytes in OCaml 2022-01-06 17:43:31 +01:00
Anthony Scemama f4b4f62618 Integrated Jastrow Mu 2021-07-31 11:33:20 +02:00
Anthony Scemama 4ad08c8c03 Order blocks by block_id 2020-06-02 00:19:45 +02:00
Anthony Scemama 89bd9d9c7f Removed merging on same compute node 2020-06-01 23:59:27 +02:00
Anthony Scemama b389056421 Fixed rmin, rmax 2020-06-01 23:51:37 +02:00
Anthony Scemama 5d715b95d1 Removed merging on same compute node 2020-06-01 23:30:07 +02:00
Anthony Scemama e9706cee7a Fixed exploding energies with pseudos 2020-05-11 13:49:07 +02:00
Anthony Scemama f41412658e Jastrow optimization script 2020-05-04 12:13:06 +02:00
Anthony Scemama 21a3b36f79 Tail recursion 2020-04-16 00:42:51 +02:00
Anthony Scemama 9fede1e06c Fixed do_run 2020-04-15 23:59:17 +02:00
Anthony Scemama dcd4e923d4 atexit 2020-04-15 23:24:54 +02:00
Anthony Scemama b12ac1be79 Read all EZFIO in memory before run starts 2020-04-15 19:25:43 +02:00
Anthony Scemama 5deb4bef6b Changed List.map to List.rev_map 2020-04-15 14:40:33 +02:00
Anthony Scemama 685e883979 Adapted for EZFIO 2.0 2020-04-14 19:14:21 +02:00
Anthony Scemama 0eb72b9bce Fixed walkers pool 2019-12-17 11:22:52 +01:00
Anthony Scemama 0485afda6f Fixing walkers 2019-12-17 11:10:34 +01:00
Anthony Scemama 2cc2d713bc Fixed scheduler bug 2019-12-17 09:08:39 +01:00
Anthony Scemama 4e9d9f0da4 Option bug in qmcchem edit 2019-12-16 19:24:58 +01:00
Anthony Scemama 161900c87a Bug fixes 2019-10-01 10:58:43 +02:00
Anthony Scemama be84027a8c Fixed Makefiles 2019-10-01 09:36:29 +02:00
Anthony Scemama e0e7c73adc Compiling 2019-09-30 20:09:54 +02:00
Anthony Scemama f26b8fd9c5 Fixed qp_types 2019-09-30 17:03:19 +02:00
Anthony Scemama 35a083f6f3 Bugfix 2019-07-31 15:07:04 +02:00
Anthony Scemama b0fa735311 Fixing small bugs 2019-07-23 17:42:55 +02:00
Anthony Scemama f7ffed3a5a Seems to work again 2019-07-23 17:34:58 +02:00
Anthony Scemama 380169d219 Fixing Ocaml 2019-07-23 17:27:02 +02:00
Anthony Scemama 5e25738f53 Removed core 2019-07-22 12:19:12 +02:00
Anthony Scemama b14fe1dc34 Removing core 2019-07-22 11:51:14 +02:00
Anthony Scemama a13410d277 Removing core 2019-07-21 07:37:44 +02:00
Anthony Scemama a719c694ce Removing core 2019-07-19 11:46:29 +02:00
Anthony Scemama 4c870cb62b Removing core 2019-07-17 19:10:22 +02:00
Anthony Scemama 16acf1fe89 Removed core 2019-07-17 11:49:34 +02:00
Anthony Scemama 7088c263be Updates 2019-07-01 11:32:01 +02:00
Anthony Scemama 1e9b94374f Merge branch 'master' of github.com:scemama/qmcchem 2018-07-13 11:37:21 +02:00
Anthony Scemama fe9209e7de Update on Olympe 2018-07-13 10:05:51 +02:00
Anthony Scemama f2fb5fec11 Downgraded dependencies 2018-07-09 19:57:05 +02:00
Anthony Scemama 87fed8350a Fixed OCaml 2018-07-09 19:21:59 +02:00
Anthony Scemama 609e82f5cc Modernized for zmq 4.2.5 and python2 2018-07-09 14:40:45 +02:00
Anthony Scemama a07c4a98f2 ZMQ -> zmq 2018-06-04 10:26:49 +02:00