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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-12-30 16:15:39 +01:00
Commit Graph

8 Commits

Author SHA1 Message Date
380169d219 Fixing Ocaml 2019-07-23 17:27:02 +02:00
314f0609ac Merge branch 'develop' into feature/zveloc 2016-06-24 09:14:33 +02:00
3b101c0b8a Removed useless things from EZFIO 2016-06-22 23:18:21 +02:00
b6b9a85cb2 Added E_trial 2016-05-03 09:01:05 +02:00
194b1f750c Changed norm of MOs when the fitcusp is used 2016-03-17 15:41:47 +01:00
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
b19cde6bf4 Projection time is now in input parameter 2016-01-12 23:57:45 +01:00
a629b30051 Added ocaml files 2015-12-19 02:35:13 +01:00