LCPQ
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qmcchem
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256 Commits 8 Branches 2 Tags 1.8 MiB
Commit Graph

13 Commits

Author SHA1 Message Date
Anthony Scemama 5deb4bef6b Changed List.map to List.rev_map 2020-04-15 14:40:33 +02:00
Anthony Scemama 4e9d9f0da4 Option bug in qmcchem edit 2019-12-16 19:24:58 +01:00
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 16acf1fe89 Removed core 2019-07-17 11:49:34 +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 b6b9a85cb2 Added E_trial 2016-05-03 09:01:05 +02:00
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 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