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a8ed512c93
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FCI example
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2024-09-10 17:01:55 +02:00 |
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3694f8695c
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Added CI
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2024-06-24 14:28:30 +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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d53c0e6ea3
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Added Landmark profiler
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2023-06-30 12:22:26 +02:00 |
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98ca250ed3
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Summary
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2021-10-19 16:57:22 +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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08bd5303d9
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Added HTML documentation
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2021-01-01 17:05:25 +01:00 |
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92c23f042f
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Added simulation
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2021-01-01 11:52:08 +01:00 |
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56d151ea36
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Fixed Qcaml module
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2020-12-29 00:03:01 +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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2a7a586c92
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Added a test for Hartree-Fock
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2020-10-26 11:52:24 +01:00 |
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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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16adf48234
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Introduced infix operators for Vector and Matrices
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2020-10-17 19:02:37 +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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357bb0289a
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Exposing modules
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2020-10-09 15:56:50 +02:00 |
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31f4270b35
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Exposing modules
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2020-10-09 13:54:57 +02:00 |
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7e26b5833a
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Added qcaml module
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2020-10-09 10:02:18 +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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e4c04af617
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Added qcaml module
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2020-10-08 12:56:47 +02:00 |
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