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