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mirror of https://gitlab.com/scemama/QCaml.git synced 2024-12-22 20:33:36 +01:00
Commit Graph

24 Commits

Author SHA1 Message Date
5c0b356b6c Removed org-mode 2024-06-20 15:38:37 +02:00
7eba47e0a4 Cleaned localization 2024-02-28 11:17:20 +01:00
feebc5a0e8 Removing org-mode 2024-02-28 10:48:09 +01:00
d6ef25d55a Removing org-mode 2024-01-26 11:24:56 +01:00
d53c0e6ea3 Added Landmark profiler 2023-06-30 12:22:26 +02:00
0f0bceb6c3 GWH guess 2023-06-26 15:37:05 +02:00
98ca250ed3 Summary 2021-10-19 16:57:22 +02:00
bdece8ea60 Moving all MOs is not optimal 2021-02-03 10:47:34 +01:00
254e8b5dc8 Pretty printer for localization 2021-02-03 09:31:11 +01:00
32c09e5d14 Fixed localization 2021-02-03 08:50:52 +01:00
8e99b4a58c Fixed localization 2021-02-01 16:35:58 +01:00
0b6fe42e55 Localization 2021-01-30 19:07:59 +01:00
8502befb65 Update documentation 2021-01-28 00:34:26 +01:00
d0f61750da Add Gaussian.Atomic_shell_pair 2021-01-20 23:55:34 +01:00
08bd5303d9 Added HTML documentation 2021-01-01 17:05:25 +01:00
73a5cf6ca2 MP2 OK 2021-01-01 16:39:33 +01:00
28e6fda242 Added frozen_core 2021-01-01 12:52:50 +01:00
65d04a76f2 Cleaned readme for auto-generation 2020-12-28 12:23:39 +01:00
3c27ec0c10 Added exponential of matrix 2020-12-17 12:55:11 +01:00
51b1d0d002 Better tests 2020-12-07 14:12:35 +01:00
74ae9acd1a Fixed Huckel guess 2020-10-26 13:35:06 +01:00
2a7a586c92 Added a test for Hartree-Fock 2020-10-26 11:52:24 +01:00
04d9e14470 Added Hartree_Fock 2020-10-18 01:58:22 +02:00
16adf48234 Introduced infix operators for Vector and Matrices 2020-10-17 19:02:37 +02:00