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d878b5d33b
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Repaired broken DMC
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2016-01-14 16:25:59 +01:00 |
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75d099a2e8
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Fixed DMC
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2016-01-14 13:07:44 +01:00 |
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dc6d6b1637
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Merge branch 'hotfix/ocaml_zmq'
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2016-01-13 00:10:32 +01:00 |
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cfeb3ec8bf
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Fixed OCaml ZMQ module install
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2016-01-13 00:10:24 +01:00 |
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b19cde6bf4
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Projection time is now in input parameter
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2016-01-12 23:57:45 +01:00 |
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76d2e4a491
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Trapped max is 20, corrected bug in wDMC weights (+1)
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2016-01-12 22:05:22 +01:00 |
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837435f646
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Avoid node crossings
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2016-01-12 21:42:37 +01:00 |
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3a61f4df23
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Removed ao_value and psi_grad_x
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2016-01-11 22:52:47 +01:00 |
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a03fce5eff
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Atomic wget
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2016-01-11 17:27:34 +01:00 |
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60fe37bbf1
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Merge branch 'master' of github.com:scemama/qmcchem
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2016-01-09 03:23:07 +01:00 |
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8dfdf8a2b3
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Random init of Walkers accelerated in OCaml
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2016-01-09 02:55:54 +01:00 |
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Anthony Scemama
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b6318976ae
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OCaml spelling
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2016-01-06 00:50:48 +01:00 |
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55d51c3666
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Remove pipe files after forwarder terminates
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2015-12-29 03:31:08 +01:00 |
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5bc0bf58df
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Simplified OCaml build
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2015-12-29 02:37:35 +01:00 |
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90361ba33e
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Fixed ocaml compilation
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2015-12-29 02:30:52 +01:00 |
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006731f327
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Fixed ocaml compiling
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2015-12-29 02:19:08 +01:00 |
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a5fe15571f
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Fixed ninja ocaml
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2015-12-29 01:35:57 +01:00 |
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c0aeac548a
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Fixed build.ninja and configure
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2015-12-29 01:25:10 +01:00 |
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749fdec879
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Added qmcchem info
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2015-12-29 01:16:19 +01:00 |
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a15f3ae2b1
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Works with gfortran. Fixed ezfio.ml compiling problem.
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2015-12-29 00:48:17 +01:00 |
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ca07066e06
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Merge branch 'master' of github.com:scemama/qmcchem
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2015-12-22 22:19:03 +01:00 |
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517ddf99d0
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Normalization of the contracted AOs
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2015-12-22 22:18:37 +01:00 |
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099ba69a13
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Fixed ocaml install
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2015-12-20 02:09:54 +01:00 |
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4cbf753142
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Fixed \t
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2015-12-20 02:06:15 +01:00 |
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19ac3509e9
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Merge branch 'master' of github.com:scemama/qmcchem
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2015-12-20 02:03:54 +01:00 |
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b8cd7b4b61
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Fixed build.ninja
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2015-12-20 02:03:40 +01:00 |
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Anthony Scemama
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921f1f3a2a
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Update README.md
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2015-12-20 01:44:09 +01:00 |
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Anthony Scemama
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09480e4ab4
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Update README.md
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2015-12-20 01:43:22 +01:00 |
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518171d3ec
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Removed qmc_nozmq
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2015-12-20 01:31:39 +01:00 |
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4981bbe9e2
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Fixed non-compiling bugs
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2015-12-20 01:29:59 +01:00 |
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778b0cc826
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Removed derviatives
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2015-12-20 01:27:24 +01:00 |
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7762ffac4f
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Added ocaml build.ninja
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2015-12-20 01:25:51 +01:00 |
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d30ed3448f
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Derivlist empty
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2015-12-20 01:24:19 +01:00 |
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0bacfffb32
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build.ninja in ocaml
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2015-12-20 01:21:51 +01:00 |
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deb83a98bd
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Added missing files
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2015-12-20 01:16:32 +01:00 |
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6eb9a00101
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Added scripts
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2015-12-20 01:09:14 +01:00 |
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99e4ad9e12
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Full fortran sources
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2015-12-20 00:54:56 +01:00 |
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9580050b80
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Added AO
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2015-12-19 03:32:49 +01:00 |
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ea185b405f
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Added some .irp.f files
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2015-12-19 03:29:52 +01:00 |
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8542c1a110
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Dependencies install OK
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2015-12-19 02:54:46 +01:00 |
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a629b30051
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Added ocaml files
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2015-12-19 02:35:13 +01:00 |
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e49713ee98
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Merge branch 'master' of github.com:scemama/qmcchem
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2015-12-18 22:53:34 +01:00 |
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81b9c05e77
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Improved install scripts
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2015-12-18 22:53:27 +01:00 |
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b6280da269
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Wait
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2015-12-18 22:30:51 +01:00 |
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eecf75171e
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Install scripts
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2015-12-18 22:27:18 +01:00 |
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33637e1ed4
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Improved README.md
|
2015-12-18 22:12:04 +01:00 |
|
Anthony Scemama
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70d2ccdaa9
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Initial commit
|
2015-12-18 21:23:12 +01:00 |
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