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abdallah

develop

feature/gradeloc

feature/mmap

master

psidet1

psidet2

qmckl

ocaml_zmq

v1.0.0

Mono Color

• 0e243a8afc Merged outer loop in sparse_full_mv Anthony Scemama 2016-06-03 11:53:34 +02:00
• 837c5bbbf7 Removed LOOP_COUNT directives Anthony Scemama 2016-06-03 11:52:24 +02:00
• 8c812b3fa3 mmap Anthony Scemama 2016-05-27 00:04:53 +02:00
• 605ee8018c ZV estimator Anthony Scemama 2016-05-26 19:58:43 +02:00
• 09bf6140c8 General diag Anthony Scemama 2016-05-09 09:21:10 +02:00
• ca21d44409 Generalized n_diag Anthony Scemama 2016-05-07 00:58:45 +02:00
• 3b94f15bce E_diag Anthony Scemama 2016-05-06 21:43:42 +02:00
• bb774c319f Separated PDMC and SRMC Anthony Scemama 2016-05-03 21:10:25 +02:00
• 2d269aa1fc Created pdmc_weight Anthony Scemama 2016-05-03 09:15:43 +02:00
• b6b9a85cb2 Added E_trial Anthony Scemama 2016-05-03 09:01:05 +02:00
• 54f2bae5f6 Added operators on random variables Anthony Scemama 2016-05-02 21:51:09 +02:00
• 571df84d9d ZV energy Anthony Scemama 2016-05-02 21:19:36 +02:00
• 9acdd8b449 Not working Anthony Scemama 2016-05-02 10:52:55 +02:00
• 8cc2c6a24b Implemented ZV DMC Anthony Scemama 2016-05-02 10:52:29 +02:00
• a95f908c5c Update README.md Anthony Scemama 2016-04-08 14:41:14 +02:00
• 05f5d463a6 MO fitcusp renormalization was wrong Anthony Scemama 2016-04-06 22:44:50 +02:00
• 99c38c83f6 Removed debugging print Anthony Scemama 2016-04-05 12:07:02 +02:00
• 0d5d317a85 Corrected bug in walkers Anthony Scemama 2016-04-05 11:52:04 +02:00
• 3826062b88 Less walkers traffic Anthony Scemama 2016-04-05 00:48:37 +02:00
• 321c969b0e Repaired ocaml installation Anthony Scemama 2016-03-29 15:58:12 +02:00
• 9178b51733 Merge branch 'develop' Anthony Scemama 2016-03-29 15:25:51 +02:00
• 6f3ac7fa29 Better prepare_walkers Anthony Scemama 2016-03-29 15:16:16 +02:00
• 22cadde5a1 Merge branch 'hotfix/norm' into develop Anthony Scemama 2016-03-28 15:42:48 +02:00
• e791273547 Merge branch 'hotfix/norm' Anthony Scemama 2016-03-28 15:42:36 +02:00
• 886b041c03 Removed normalization of the AOs Anthony Scemama 2016-03-28 15:42:24 +02:00
• b8f36ded55 Merge pull request #2 from scemama/develop Anthony Scemama 2016-03-17 16:01:17 +01:00
• 756f2ccea4 Added Rousset FKMC algorithm Anthony Scemama 2016-03-17 15:51:45 +01:00
• 194b1f750c Changed norm of MOs when the fitcusp is used Anthony Scemama 2016-03-17 15:41:47 +01:00
• caf22663b5 Changed sexplib.syntax to pa_sexp_conv Anthony Scemama 2016-03-17 15:32:17 +01:00
• 1df8e21ee8 Random port Anthony Scemama 2016-03-17 15:27:31 +01:00
• 58b58acf45 Storing PID in tmpdir Anthony Scemama 2016-03-05 00:25:39 +01:00
• b66cddbe4d Cleaning after Ctrl-C Anthony Scemama 2016-03-03 13:57:33 +01:00
• 453a29d607 Try except to clean tmpdir Anthony Scemama 2016-03-03 13:39:06 +01:00
• 517fd0898c Merge branch 'master' into develop Anthony Scemama 2016-02-19 11:22:23 +01:00
• c85f1113d6 Merge branch 'master' of github.com:scemama/qmcchem Anthony Scemama 2016-02-19 11:20:56 +01:00
• 654579b953 Added range in qmcchem_result Anthony Scemama 2016-02-19 11:20:34 +01:00
• 591f0306ea Deterministic ZMQ ports Anthony Scemama 2016-02-05 00:41:10 +01:00
• 9b34e07283 Added md5 update Anthony Scemama 2016-01-31 00:29:36 +01:00
• 1a21f891e3 Merge branch 'release/v1.0.0' v1.0.0 Anthony Scemama 2016-01-29 21:33:21 +01:00
• 010c3374a4 Lagrange interpolation in pseudo Anthony Scemama 2016-01-29 19:17:29 +01:00
• e695acaa7d Issue #1 Anthony Scemama 2016-01-26 15:41:21 +01:00
• f8613a1d64 README Anthony Scemama 2016-01-22 15:01:33 +01:00
• 9b57a480bf Fixed issue #1 Anthony Scemama 2016-01-22 11:14:41 +01:00
• ec7fcc9896 Corrected install download command Anthony Scemama 2016-01-21 01:28:04 +01:00
• 0bb99ed8db SRMC acceleration Anthony Scemama 2016-01-19 00:21:13 +01:00
• 97c663e520 Forgot srmc_step.irp.f file in previous commit Anthony Scemama 2016-01-18 20:31:24 +01:00
• c56c3ea851 Smaller time step errors Anthony Scemama 2016-01-18 20:17:37 +01:00
• 55d3c7b68a Removed dead code Anthony Scemama 2016-01-14 17:07:59 +01:00
• d878b5d33b Repaired broken DMC Anthony Scemama 2016-01-14 16:25:59 +01:00
• 75d099a2e8 Fixed DMC Anthony Scemama 2016-01-14 13:07:44 +01:00
• dc6d6b1637 Merge branch 'hotfix/ocaml_zmq' ocaml_zmq Anthony Scemama 2016-01-13 00:10:32 +01:00
• cfeb3ec8bf Fixed OCaml ZMQ module install Anthony Scemama 2016-01-13 00:10:24 +01:00
• b19cde6bf4 Projection time is now in input parameter Anthony Scemama 2016-01-12 23:57:45 +01:00
• 76d2e4a491 Trapped max is 20, corrected bug in wDMC weights (+1) Anthony Scemama 2016-01-12 22:05:22 +01:00
• 837435f646 Avoid node crossings Anthony Scemama 2016-01-12 21:42:37 +01:00
• 3a61f4df23 Removed ao_value and psi_grad_x Anthony Scemama 2016-01-11 22:52:47 +01:00
• a03fce5eff Atomic wget Anthony Scemama 2016-01-11 17:27:34 +01:00
• 60fe37bbf1 Merge branch 'master' of github.com:scemama/qmcchem Anthony Scemama 2016-01-09 03:23:07 +01:00
• 8dfdf8a2b3 Random init of Walkers accelerated in OCaml Anthony Scemama 2016-01-09 02:55:54 +01:00
• b6318976ae OCaml spelling Anthony Scemama 2016-01-06 00:50:48 +01:00
• 55d51c3666 Remove pipe files after forwarder terminates Anthony Scemama 2015-12-29 03:31:08 +01:00
• 5bc0bf58df Simplified OCaml build Anthony Scemama 2015-12-29 02:37:35 +01:00
• 90361ba33e Fixed ocaml compilation Anthony Scemama 2015-12-29 02:30:52 +01:00
• 006731f327 Fixed ocaml compiling Anthony Scemama 2015-12-29 02:19:08 +01:00
• a5fe15571f Fixed ninja ocaml Anthony Scemama 2015-12-29 01:35:57 +01:00
• c0aeac548a Fixed build.ninja and configure Anthony Scemama 2015-12-29 01:25:01 +01:00
• 749fdec879 Added qmcchem info Anthony Scemama 2015-12-29 01:16:19 +01:00
• a15f3ae2b1 Works with gfortran. Fixed ezfio.ml compiling problem. Anthony Scemama 2015-12-29 00:48:17 +01:00
• ca07066e06 Merge branch 'master' of github.com:scemama/qmcchem Anthony Scemama 2015-12-22 22:19:03 +01:00
• 517ddf99d0 Normalization of the contracted AOs Anthony Scemama 2015-12-22 22:17:12 +01:00
• 099ba69a13 Fixed ocaml install Anthony Scemama 2015-12-20 02:09:54 +01:00
• 4cbf753142 Fixed \t Anthony Scemama 2015-12-20 02:06:15 +01:00
• 19ac3509e9 Merge branch 'master' of github.com:scemama/qmcchem Anthony Scemama 2015-12-20 02:03:54 +01:00
• b8cd7b4b61 Fixed build.ninja Anthony Scemama 2015-12-20 02:03:40 +01:00
• 921f1f3a2a Update README.md Anthony Scemama 2015-12-20 01:44:09 +01:00
• 09480e4ab4 Update README.md Anthony Scemama 2015-12-20 01:43:22 +01:00
• 518171d3ec Removed qmc_nozmq Anthony Scemama 2015-12-20 01:31:39 +01:00
• 4981bbe9e2 Fixed non-compiling bugs Anthony Scemama 2015-12-20 01:29:59 +01:00
• 778b0cc826 Removed derviatives Anthony Scemama 2015-12-20 01:27:24 +01:00
• 7762ffac4f Added ocaml build.ninja Anthony Scemama 2015-12-20 01:25:51 +01:00
• d30ed3448f Derivlist empty Anthony Scemama 2015-12-20 01:24:19 +01:00
• 0bacfffb32 build.ninja in ocaml Anthony Scemama 2015-12-20 01:21:51 +01:00
• deb83a98bd Added missing files Anthony Scemama 2015-12-20 01:16:32 +01:00
• 6eb9a00101 Added scripts Anthony Scemama 2015-12-20 01:09:14 +01:00
• 99e4ad9e12 Full fortran sources Anthony Scemama 2015-12-20 00:54:56 +01:00
• 9580050b80 Added AO Anthony Scemama 2015-12-19 03:32:49 +01:00
• ea185b405f Added some .irp.f files Anthony Scemama 2015-12-19 03:29:52 +01:00
• 8542c1a110 Dependencies install OK Anthony Scemama 2015-12-19 02:54:46 +01:00
• a629b30051 Added ocaml files Anthony Scemama 2015-12-19 02:35:13 +01:00
• e49713ee98 Merge branch 'master' of github.com:scemama/qmcchem Anthony Scemama 2015-12-18 22:53:34 +01:00
• 81b9c05e77 Improved install scripts Anthony Scemama 2015-12-18 22:53:27 +01:00
• b6280da269 Wait Anthony Scemama 2015-12-18 22:30:51 +01:00
• eecf75171e Install scripts Anthony Scemama 2015-12-18 22:25:32 +01:00
• 33637e1ed4 Improved README.md Anthony Scemama 2015-12-18 22:12:04 +01:00
• 70d2ccdaa9 Initial commit Anthony Scemama 2015-12-18 21:23:12 +01:00