10
1
mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-11-08 07:03:39 +01:00
Commit Graph

19 Commits

Author SHA1 Message Date
61d746713e Added properties_ci 2020-04-14 18:19:51 +02:00
f2fb5fec11 Downgraded dependencies 2018-07-09 19:57:05 +02:00
609e82f5cc Modernized for zmq 4.2.5 and python2 2018-07-09 14:40:45 +02:00
c59606bb36 Removed useless property 2016-12-29 01:48:59 +01:00
4c42654401 Cleaned PDMC 2016-11-28 19:45:09 +01:00
f5c4500770 Merge branch 'develop' into feature/zveloc
Conflicts:
	src/PROPERTIES/properties_general.irp.f
2016-07-01 21:57:42 +02:00
fa84ab6fa2 Bugs in SRMC corrected 2016-06-24 09:28:06 +02:00
605ee8018c ZV estimator 2016-05-26 19:58:43 +02:00
09bf6140c8 General diag 2016-05-09 09:21:10 +02:00
3b94f15bce E_diag 2016-05-06 23:15:38 +02:00
bb774c319f Separated PDMC and SRMC 2016-05-03 21:10:25 +02:00
2d269aa1fc Created pdmc_weight 2016-05-03 09:15:43 +02:00
b6b9a85cb2 Added E_trial 2016-05-03 09:01:05 +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
8cc2c6a24b Implemented ZV DMC 2016-05-02 10:52:29 +02:00
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
99e4ad9e12 Full fortran sources 2015-12-20 00:54:56 +01:00