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

16 Commits

Author SHA1 Message Date
Anthony Scemama f4b4f62618 Integrated Jastrow Mu 2021-07-31 11:33:20 +02:00
Anthony Scemama 5deb4bef6b Changed List.map to List.rev_map 2020-04-15 14:40:33 +02:00
Anthony Scemama 380169d219 Fixing Ocaml 2019-07-23 17:27:02 +02:00
Anthony Scemama 16acf1fe89 Removed core 2019-07-17 11:49:34 +02:00
Anthony Scemama 8f978d95c2 Update for OCaml 4.04 2017-10-10 09:39:58 +02:00
Anthony Scemama dc187bea73 Merge branch 'feature/zveloc' into develop 2016-11-28 15:08:59 +01:00
Anthony Scemama 8733aa742e Removed check of Jastrow and pseudo 2016-07-25 13:52:49 +02:00
Anthony Scemama b6b9a85cb2 Added E_trial 2016-05-03 09:01:05 +02:00
Anthony Scemama 571df84d9d ZV energy 2016-05-02 21:19:36 +02:00
Anthony Scemama 756f2ccea4 Added Rousset FKMC algorithm 2016-03-17 15:56:24 +01:00
Anthony Scemama 194b1f750c Changed norm of MOs when the fitcusp is used 2016-03-17 15:41:47 +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 d878b5d33b Repaired broken DMC 2016-01-14 16:25:59 +01:00
Anthony Scemama 75d099a2e8 Fixed DMC 2016-01-14 13:07:44 +01:00
Anthony Scemama b19cde6bf4 Projection time is now in input parameter 2016-01-12 23:57:45 +01:00
Anthony Scemama a629b30051 Added ocaml files 2015-12-19 02:35:13 +01:00