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

19 Commits

Author SHA1 Message Date
5c0b356b6c Removed org-mode 2024-06-20 15:38:37 +02:00
744f2a0552 Removing org-mode 2024-01-17 14:24:28 +01:00
c4b022aeee Remove org-mode 2024-01-17 10:30:24 +01:00
d53c0e6ea3 Added Landmark profiler 2023-06-30 12:22:26 +02:00
d5a71707c8 Improved parallel integrals 2023-06-17 02:07:35 +02:00
39cdbba97e Fixed Lazy 2023-06-17 00:32:39 +02:00
3f0dbfc928 Parallelized ERI with Domainslib 2023-06-16 18:27:23 +02:00
b4211b8d85 Working on TREXIO basis 2023-04-24 19:31:51 +02:00
919a8cbdd5 Changed streams to seq 2023-04-24 13:05:01 +02:00
dbbebea8d0 Merge lpqsv26:~/tmpdir/QuAcK/qcaml-tools/qcaml into dev 2022-11-07 11:27:34 +01:00
a692242b51 Improved reading basis 2022-11-07 11:24:20 +01:00
98ca250ed3 Summary 2021-10-19 16:57:22 +02:00
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
d1a0145826 Atomic shell pair couple org 2021-01-07 09:21:06 +01:00
934d3de77a Atomic shell in org 2021-01-06 09:03:26 +01:00
08bd5303d9 Added HTML documentation 2021-01-01 17:05:25 +01:00
65d04a76f2 Cleaned readme for auto-generation 2020-12-28 12:23:39 +01:00
62eacf4146 Renamed Gaussian_basis into Gaussian 2020-10-10 10:59:09 +02:00