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qmcchem
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243 Commits 8 Branches 2 Tags 1.8 MiB
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13 Commits

Author SHA1 Message Date
Anthony Scemama 40ce1bceb2 Merge Abdallah 2022-01-14 12:40:31 +01:00
Anthony Scemama 1400ed3daf Added Jastrow mu (giner) 2021-07-30 18:15:13 +02:00
Anthony Scemama 0898c98575 Fast SVD 2021-06-21 14:30:29 +02:00
Anthony Scemama 380169d219 Fixing Ocaml 2019-07-23 17:27:02 +02:00
Anthony Scemama f2fb5fec11 Downgraded dependencies 2018-07-09 19:57:05 +02:00
Anthony Scemama 609e82f5cc Modernized for zmq 4.2.5 and python2 2018-07-09 14:40:45 +02:00
Anthony Scemama 314f0609ac Merge branch 'develop' into feature/zveloc 2016-06-24 09:14:33 +02:00
Anthony Scemama 3b101c0b8a Removed useless things from EZFIO 2016-06-22 23:18:21 +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 ea185b405f Added some .irp.f files 2015-12-19 03:29:52 +01:00