8471cb050a
Fixed dmc_dress
2021-09-07 18:48:30 +02:00
2381c904db
Fixed bug without pseudos
2021-09-01 19:23:58 +02:00
bbb67f88b5
DMC dressing
2021-08-24 17:45:47 +02:00
ccfeef0d4f
Added Eq refs
2021-07-30 18:34:45 +02:00
5e8de3e583
Merge /home/scemama/qmcchem_mu
2021-07-30 18:18:37 +02:00
5910d853a1
WIP Transcorrelated
2021-07-30 18:18:18 +02:00
1400ed3daf
Added Jastrow mu (giner)
2021-07-30 18:15:13 +02:00
2437ffe6e4
Fixed H and S matrices
2021-07-23 23:34:08 +02:00
0898c98575
Fast SVD
2021-06-21 14:30:29 +02:00
216ddc4351
Fixed t_DMC
2021-05-24 16:05:38 +02:00
8ac9bcb963
New scheme for pseudo explosion
2021-05-14 14:03:34 +02:00
2a68a494c4
Bug e=elec_beta_num+1,elec_num
2021-02-24 14:04:36 +01:00
7e4c64a81b
Minor changes
2020-08-26 10:41:53 +02:00
5db05a2aee
Add routines for CI optimization
2020-07-17 13:05:34 +02:00
a4f49f04c5
CI Overlap matrix
2020-07-14 15:07:17 +02:00
b837d4f346
Avoid pseudo explosion
2020-05-26 01:46:14 +02:00
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
