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QCaml
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419 Commits

Author SHA1 Message Date
Anthony Scemama a72fb7e29e Forgot file 2020-01-21 17:14:13 +01:00
Anthony Scemama feb0c106e3 Image 2020-01-21 17:13:44 +01:00
Anthony Scemama 2e8a7b9945 Update README.md 2020-01-21 10:27:40 +00:00
Anthony Scemama b4f8aeff86 Update README.rst 2020-01-21 10:25:36 +00:00
Anthony Scemama bf4ba16bd2 Update README.rst 2020-01-21 10:21:49 +00:00
Anthony Scemama 7e00ae0c12 Added logos 2020-01-21 11:17:51 +01:00
Anthony Scemama 3991f7e212 Revert changes + make clean 2020-01-20 09:42:16 +01:00
Anthony Scemama a5bde36dcc Fixing bug on mac 2020-01-17 11:26:03 +01:00
Anthony Scemama f865181e9e Updated run_integrals 2020-01-17 10:51:11 +01:00
Anthony Scemama 581897a08e Parallelization in f12 2020-01-13 18:01:47 +01:00
Anthony Scemama 61ac91e572 Added frozen-core option to run 2020-01-13 11:39:40 +01:00
Anthony Scemama e493eb28cd Share memory for f12 arrays 2020-01-13 10:54:08 +01:00
Anthony Scemama a20ec08125 Implemented fast f12 in native code 2020-01-12 00:00:01 +01:00
Anthony Scemama 85a4425a6e Finished F12Fast notebook 2020-01-07 18:47:54 +01:00
Anthony Scemama 42f8edc594 Single excitations OK in fast notebook 2020-01-07 16:45:14 +01:00
Anthony Scemama eebd6c6c6c F12 degree 0 done in notebook 2020-01-06 19:43:55 +01:00
Anthony Scemama d02620655c Working on F12 nb 2019-12-20 16:09:02 +01:00
Anthony Scemama e7ff462c9b Working on F12 notebook 2019-12-19 19:23:02 +01:00
Anthony Scemama fade04dda5 F12 Diagrams to fix + dressing integrals 2019-12-18 19:04:32 +01:00
Anthony Scemama 3edbf9ca78 All F12 diagrams OK 2019-12-18 12:56:35 +01:00
Anthony Scemama 3b22e014b4 Working on F12 notebook 2019-12-17 19:03:55 +01:00
Anthony Scemama efe0be4bb2 Working on f12 notebook 2019-12-12 18:41:14 +01:00
Anthony Scemama e66d790cb7 Working on notebook 2019-12-12 16:28:30 +01:00
Anthony Scemama 56b6bb41a6 Working on F12 notebook 2019-12-09 19:37:58 +01:00
Anthony Scemama 2e6ccb1770 Improved F12 Notebook 2019-12-05 22:45:30 +01:00
Anthony Scemama e3a0b4a6c0 Working on f12 notebook 2019-12-05 16:16:00 +01:00
Anthony Scemama be8b2d8b2b Fixed DIIS 2019-12-05 15:10:14 +01:00
Anthony Scemama 1db40e023f Added images for Notebook 2019-12-05 09:38:39 +01:00
Anthony Scemama 537c5540c4 Notebook 0 2 22 and 1 2 22 OK 2019-12-04 18:13:54 +01:00
Anthony Scemama e1efc10289 Notebook 2019-12-03 18:52:03 +01:00
Anthony Scemama 536cad3098 Notebook 2019-12-03 14:40:08 +01:00
Anthony Scemama c0080617ab Fixed bytecode C binding 2019-12-03 12:25:31 +01:00
Anthony Scemama a03cf66eab Working on nb 2019-12-03 09:13:57 +01:00
Anthony Scemama acb2314be4 Adapt for Notebooks 2019-12-02 14:58:48 +01:00
Anthony Scemama 1de449b0b9 Merge branch 'master' of gitlab.com:scemama/QCaml 2019-12-02 10:07:53 +01:00
Anthony Scemama 241cd67613 Makefile OK for notebooks 2019-11-30 10:41:07 +01:00
Anthony Scemama 6dc872bae9 Notebook 2019-11-26 01:08:31 +01:00
Anthony Scemama f19ddc125f Merge branch 'master' of gitlab.com:scemama/QCaml 2019-11-25 18:45:27 +01:00
Anthony Scemama c6d31b809f Added SpVec notebook 2019-11-25 18:44:46 +01:00
Anthony Scemama bb8654b17c Debugging 2019-11-20 16:42:28 +01:00
Anthony Scemama 2d5e13c1ff Merge branch 'master' of gitlab.com:scemama/QCaml 2019-11-14 13:00:22 +01:00
Anthony Scemama 35e63bf4fc --amend 2019-11-14 13:00:10 +01:00
Anthony Scemama 28aa42c2f9 Merge branch 'master' of gitlab.com:scemama/QCaml 2019-11-14 10:59:37 +01:00
Anthony Scemama 08e41378dd Rephasing 2019-11-14 10:58:57 +01:00
Anthony Scemama f93b2fe0a6 Small optimizations 2019-11-13 11:07:39 +01:00
Anthony Scemama 36800c6d79 Fix 3e contributions 2019-11-05 17:14:37 +01:00
Anthony Scemama 3b372f89e7 Added three-e contrbutions 2019-11-05 01:30:55 +01:00
Anthony Scemama 61ba79ee59 Added three-e contrbutions 2019-11-04 23:51:47 +01:00
Anthony Scemama d6dd38d706 Merge branch 'master' of gitlab.com:scemama/QCaml 2019-10-27 21:13:54 +01:00
Anthony Scemama a1349ea69e Changed data structure of sparse_vector 2019-10-24 23:08:24 +02:00