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51f216da90
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Added string read of basis
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2024-09-06 11:05:54 +02:00 |
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5c0b356b6c
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Removed org-mode
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2024-06-20 15:38:37 +02:00 |
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c4b022aeee
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Remove org-mode
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2024-01-17 10:30:24 +01:00 |
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d53c0e6ea3
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Added Landmark profiler
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2023-06-30 12:22:26 +02:00 |
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ca727440db
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Removing org-mode source
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2023-06-28 13:51:12 +02:00 |
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b4211b8d85
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Working on TREXIO basis
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2023-04-24 19:31:51 +02:00 |
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8502befb65
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Update documentation
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2021-01-28 00:34:26 +01:00 |
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d0f61750da
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Add Gaussian.Atomic_shell_pair
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2021-01-20 23:55:34 +01:00 |
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475635cf6c
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Better doc
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2021-01-04 23:52:36 +01:00 |
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d2b4928352
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Added gaussian basis
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2021-01-04 23:38:02 +01:00 |
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d28be0df9f
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Added basis org
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2021-01-04 09:19:35 +01:00 |
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08bd5303d9
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Added HTML documentation
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2021-01-01 17:05:25 +01:00 |
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73a5cf6ca2
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MP2 OK
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2021-01-01 16:39:33 +01:00 |
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65d04a76f2
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Cleaned readme for auto-generation
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2020-12-28 12:23:39 +01:00 |
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59980ed51c
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Add MP2
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2020-12-07 13:52:56 +01:00 |
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718d39924f
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Provided example
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2020-10-19 18:33:02 +02:00 |
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a907572217
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Merge branch 'dev' of gitlab.com:scemama/QCaml into dev
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2020-10-18 01:59:47 +02:00 |
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04d9e14470
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Added Hartree_Fock
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2020-10-18 01:58:22 +02:00 |
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62eacf4146
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Renamed Gaussian_basis into Gaussian
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2020-10-10 10:59:09 +02:00 |
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6217dc5a0a
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Removed Qcaml_ prefixes
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2020-10-09 09:47:57 +02:00 |
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b9fb5e7903
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Renamed ao_basis to ao
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2020-10-09 09:38:52 +02:00 |
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