LCPQ
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qmcchem
mirror of https://gitlab.com/scemama/qmcchem.git
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256 Commits 8 Branches 2 Tags 1.8 MiB
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14 Commits

Author SHA1 Message Date
Anthony Scemama 9cd20a46e7 Added Weight 2022-03-06 15:16:02 +01:00
Anthony Scemama 46c66f5a63 Accelerated qmcchem result 2022-01-12 00:39:43 +01:00
Anthony Scemama b389056421 Fixed rmin, rmax 2020-06-01 23:51:37 +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 5e25738f53 Removed core 2019-07-22 12:19:12 +02:00
Anthony Scemama a13410d277 Removing core 2019-07-21 07:37:44 +02:00
Anthony Scemama 507c83b87b Modern OCaml 2018-03-14 17:02:52 +01:00
Anthony Scemama 8f978d95c2 Update for OCaml 4.04 2017-10-10 09:39:58 +02:00
Anthony Scemama 54f2bae5f6 Added operators on random variables 2016-05-02 21:51:09 +02:00
Anthony Scemama 571df84d9d ZV energy 2016-05-02 21:19:36 +02:00
Anthony Scemama 654579b953 Added range in qmcchem_result 2016-02-19 11:20:34 +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 a629b30051 Added ocaml files 2015-12-19 02:35:13 +01:00