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f4b4f62618
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Integrated Jastrow Mu
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2021-07-31 11:33:20 +02:00 |
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4ad08c8c03
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Order blocks by block_id
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2020-06-02 00:19:45 +02:00 |
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89bd9d9c7f
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Removed merging on same compute node
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2020-06-01 23:59:27 +02:00 |
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b389056421
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Fixed rmin, rmax
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2020-06-01 23:51:37 +02:00 |
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5d715b95d1
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Removed merging on same compute node
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2020-06-01 23:30:07 +02:00 |
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e9706cee7a
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Fixed exploding energies with pseudos
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2020-05-11 13:49:07 +02:00 |
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f41412658e
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Jastrow optimization script
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2020-05-04 12:13:06 +02:00 |
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21a3b36f79
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Tail recursion
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2020-04-16 00:42:51 +02:00 |
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9fede1e06c
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Fixed do_run
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2020-04-15 23:59:17 +02:00 |
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dcd4e923d4
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atexit
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2020-04-15 23:24:54 +02:00 |
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b12ac1be79
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Read all EZFIO in memory before run starts
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2020-04-15 19:25:43 +02:00 |
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5deb4bef6b
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Changed List.map to List.rev_map
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2020-04-15 14:40:33 +02:00 |
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685e883979
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Adapted for EZFIO 2.0
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2020-04-14 19:14:21 +02:00 |
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0eb72b9bce
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Fixed walkers pool
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2019-12-17 11:22:52 +01:00 |
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0485afda6f
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Fixing walkers
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2019-12-17 11:10:34 +01:00 |
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2cc2d713bc
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Fixed scheduler bug
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2019-12-17 09:08:39 +01:00 |
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4e9d9f0da4
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Option bug in qmcchem edit
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2019-12-16 19:24:58 +01:00 |
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161900c87a
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Bug fixes
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2019-10-01 10:58:43 +02:00 |
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be84027a8c
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Fixed Makefiles
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2019-10-01 09:36:29 +02:00 |
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e0e7c73adc
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Compiling
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2019-09-30 20:09:54 +02:00 |
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f26b8fd9c5
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Fixed qp_types
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2019-09-30 17:03:19 +02:00 |
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35a083f6f3
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Bugfix
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2019-07-31 15:07:04 +02:00 |
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b0fa735311
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Fixing small bugs
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2019-07-23 17:42:55 +02:00 |
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f7ffed3a5a
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Seems to work again
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2019-07-23 17:34:58 +02:00 |
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380169d219
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Fixing Ocaml
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2019-07-23 17:27:02 +02:00 |
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5e25738f53
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Removed core
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2019-07-22 12:19:12 +02:00 |
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b14fe1dc34
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Removing core
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2019-07-22 11:51:14 +02:00 |
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a13410d277
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Removing core
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2019-07-21 07:37:44 +02:00 |
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a719c694ce
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Removing core
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2019-07-19 11:46:29 +02:00 |
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4c870cb62b
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Removing core
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2019-07-17 19:10:22 +02:00 |
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16acf1fe89
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Removed core
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2019-07-17 11:49:34 +02:00 |
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7088c263be
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Updates
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2019-07-01 11:32:01 +02:00 |
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1e9b94374f
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Merge branch 'master' of github.com:scemama/qmcchem
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2018-07-13 11:37:21 +02:00 |
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fe9209e7de
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Update on Olympe
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2018-07-13 10:05:51 +02:00 |
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f2fb5fec11
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Downgraded dependencies
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2018-07-09 19:57:05 +02:00 |
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87fed8350a
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Fixed OCaml
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2018-07-09 19:21:59 +02:00 |
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609e82f5cc
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Modernized for zmq 4.2.5 and python2
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2018-07-09 14:40:45 +02:00 |
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a07c4a98f2
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ZMQ -> zmq
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2018-06-04 10:26:49 +02:00 |
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b9a69fa62d
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Missing files
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2018-03-15 09:35:36 +01:00 |
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507c83b87b
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Modern OCaml
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2018-03-14 17:02:52 +01:00 |
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550c180cb4
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Changes for Theta
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2017-11-29 19:48:28 +01:00 |
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7883be32c1
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Removed ZMQ unbind
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2017-10-12 17:59:08 +02:00 |
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8f978d95c2
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Update for OCaml 4.04
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2017-10-10 09:39:58 +02:00 |
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dc187bea73
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Merge branch 'feature/zveloc' into develop
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2016-11-28 15:08:59 +01:00 |
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8733aa742e
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Removed check of Jastrow and pseudo
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2016-07-25 13:52:49 +02:00 |
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b6b9a85cb2
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Added E_trial
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2016-05-03 09:01:05 +02:00 |
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54f2bae5f6
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Added operators on random variables
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2016-05-02 21:51:09 +02:00 |
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571df84d9d
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ZV energy
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2016-05-02 21:19:36 +02:00 |
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99c38c83f6
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Removed debugging print
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2016-04-05 12:07:02 +02:00 |
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0d5d317a85
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Corrected bug in walkers
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2016-04-05 11:52:04 +02:00 |
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