5deb4bef6b
Changed List.map to List.rev_map
2020-04-15 14:40:33 +02:00
380169d219
Fixing Ocaml
2019-07-23 17:27:02 +02:00
16acf1fe89
Removed core
2019-07-17 11:49:34 +02:00
8f978d95c2
Update for OCaml 4.04
2017-10-10 09:39:58 +02:00
dc187bea73
Merge branch 'feature/zveloc' into develop
2016-11-28 15:08:59 +01:00
8733aa742e
Removed check of Jastrow and pseudo
2016-07-25 13:52:49 +02:00
b6b9a85cb2
Added E_trial
2016-05-03 09:01:05 +02:00
571df84d9d
ZV energy
2016-05-02 21:19:36 +02:00
756f2ccea4
Added Rousset FKMC algorithm
2016-03-17 15:56:24 +01:00
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
d878b5d33b
Repaired broken DMC
2016-01-14 16:25:59 +01:00
75d099a2e8
Fixed DMC
2016-01-14 13:07:44 +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