LCPQ
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qmcchem
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Code Releases Activity
236 Commits 8 Branches 2 Tags 1.8 MiB
Commit Graph

28 Commits

Author SHA1 Message Date
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 89bd9d9c7f Removed merging on same compute node 2020-06-01 23:59:27 +02:00
Anthony Scemama f41412658e Jastrow optimization script 2020-05-04 12:13:06 +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 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 161900c87a Bug fixes 2019-10-01 10:58:43 +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 380169d219 Fixing Ocaml 2019-07-23 17:27:02 +02:00
Anthony Scemama a13410d277 Removing core 2019-07-21 07:37:44 +02:00
Anthony Scemama a07c4a98f2 ZMQ -> zmq 2018-06-04 10:26:49 +02:00
Anthony Scemama 550c180cb4 Changes for Theta 2017-11-29 19:48:28 +01:00
Anthony Scemama 7883be32c1 Removed ZMQ unbind 2017-10-12 17:59:08 +02:00
Anthony Scemama 8f978d95c2 Update for OCaml 4.04 2017-10-10 09:39:58 +02:00
Anthony Scemama 3826062b88 Less walkers traffic 2016-04-05 00:48:37 +02:00
Anthony Scemama 6f3ac7fa29 Better prepare_walkers 2016-03-29 15:20:03 +02:00
Anthony Scemama 1df8e21ee8 Random port 2016-03-17 15:27:31 +01:00
Anthony Scemama b66cddbe4d Cleaning after Ctrl-C 2016-03-03 13:57:33 +01:00
Anthony Scemama 517fd0898c Merge branch 'master' into develop 2016-02-19 11:22:23 +01:00
Anthony Scemama 654579b953 Added range in qmcchem_result 2016-02-19 11:20:34 +01:00
Anthony Scemama 591f0306ea Deterministic ZMQ ports 2016-02-05 00:41:10 +01:00
Anthony Scemama c56c3ea851 Smaller time step errors 
- Implemented SRMC and DMC
- Using (E_new+E_old)/2 in DMC weight reduces time step errors
- Branching weight is present in E_loc accumulation
- Introduces Error in Message.ml
 2016-01-18 20:17:37 +01:00
Anthony Scemama 8dfdf8a2b3 Random init of Walkers accelerated in OCaml 2016-01-09 02:55:54 +01:00
Anthony Scemama a629b30051 Added ocaml files 2015-12-19 02:35:13 +01:00