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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-05-29 17:35:19 +02:00
Commit Graph

256 Commits

Author SHA1 Message Date
9cd20a46e7 Added Weight 2022-03-06 15:16:02 +01:00
25ef42fa55 Minor changes 2022-02-09 15:20:45 +01:00
2b824c1215 Added mu_opt 2022-01-28 16:35:56 +01:00
80821f9c6a ci_dress_mu_opt 2022-01-28 16:34:29 +01:00
1b12940f93 Added 1body jastrow mu erf 2022-01-26 19:48:16 +01:00
557ef562cb Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-14 12:46:57 +01:00
3ea2308224 Missing file 2022-01-14 12:46:48 +01:00
be803b00f1 Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-14 12:42:47 +01:00
2ddd386ca8 Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-14 12:40:36 +01:00
40ce1bceb2 Merge Abdallah 2022-01-14 12:40:31 +01:00
ef210f771c Merge branch 'master' of gitlab.com:scemama/qmcchem
Conflicts:
	ocaml/Qmcchem_dataserver.ml
2022-01-12 23:21:45 +01:00
adce2efde7 Longer timeout 2022-01-12 23:19:44 +01:00
471d01e118 Faster network transfers 2022-01-12 19:05:15 +01:00
70dbec8ab8 Fix running averages 2022-01-12 14:43:29 +01:00
bb64e47ac9 Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-12 12:49:02 +01:00
97e47f8a85 Accelerated qmcchem result 2022-01-12 12:48:08 +01:00
46c66f5a63 Accelerated qmcchem result 2022-01-12 00:39:43 +01:00
52c16c4059 Fix EZFIO 2022-01-11 23:35:22 +01:00
7aa1ee504d Merge branch 'master' of gitlab.com:scemama/qmcchem 2022-01-11 23:18:24 +01:00
6798019161 Binary output 2022-01-11 22:19:11 +01:00
ca7f0f0171 Working on binary I/O 2022-01-11 14:50:20 +01:00
dfbbf8b329 Working on binary input 2022-01-11 13:41:13 +01:00
a0323922a8 Improved async DMC 2022-01-06 17:44:55 +01:00
5b1379fd9c Implemented to_bytes in OCaml 2022-01-06 17:43:31 +01:00
6fe10712d0 Working on configure 2022-01-03 13:18:45 +01:00
2e5256bc63 Jastrow opt 2021-12-01 11:14:37 +01:00
64a6454fd7 Added configure.ac 2021-11-15 17:37:51 +01:00
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
4cbb4f6a2d Merge branch 'master' of gitlab.com:scemama/qmcchem 2021-08-31 11:39:53 +02:00
6617cf09a1 Merge branch 'master' of gitlab.com:scemama/qmcchem 2021-08-26 11:41:45 +02:00
52e6ef08f8 Fixed det_beta_num_8 -> elec_beta_num_8 dimension in pseudo 2021-08-26 11:41:32 +02:00
bbb67f88b5 DMC dressing 2021-08-24 17:45:47 +02:00
f4b4f62618 Integrated Jastrow Mu 2021-07-31 11:33:20 +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
1e67a3ee0c Merge branch 'master' of gitlab.com:scemama/qmcchem 2021-07-23 23:35:58 +02:00
f05933e4f4 Jastrow opt 2021-07-23 23:35:55 +02:00
2437ffe6e4 Fixed H and S matrices 2021-07-23 23:34:08 +02:00
374cae3754 keep svd coefs 2021-06-29 15:56:10 +02:00
205a89e391 keep svd coefs 2021-06-29 15:55:53 +02:00
0898c98575 Fast SVD 2021-06-21 14:30:29 +02:00
3815c4ef35 Swaps in determinants 2021-06-07 23:41:37 +02:00
248545e558 DIR -> OMP 2021-05-31 14:01:33 +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
754b8602e6 Installation OK now 2020-11-02 22:50:11 +01:00