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3f0dbfc928
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Parallelized ERI with Domainslib
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2023-06-16 18:27:23 +02:00 |
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9d3f1ef05a
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Modifs for M1
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2022-12-13 10:55:47 +01:00 |
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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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0b6fe42e55
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Localization
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2021-01-30 19:07:59 +01:00 |
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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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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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4146264c2e
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Added exponential of matrix
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2020-12-17 19:52:09 +01:00 |
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3c27ec0c10
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Added exponential of matrix
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2020-12-17 12:55:11 +01:00 |
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b7add6b2b6
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Added transpose
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2020-12-16 12:03:20 +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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718d39924f
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Provided example
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2020-10-19 18:33:02 +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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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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6217dc5a0a
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Removed Qcaml_ prefixes
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2020-10-09 09:47:57 +02:00 |
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39e1363a00
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Added simulation
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2020-10-07 17:54:15 +02:00 |
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c36f356bf8
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Added conventions
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2020-10-03 15:46:21 +02:00 |
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6d37fe69bd
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Commented non-inplace
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2020-10-03 15:40:06 +02:00 |
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fe7cd2c550
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to_bigarray_inplace
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2020-10-03 15:27:48 +02:00 |
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79f3b5ef10
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Added phantom types to matrices
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2020-10-02 18:55:19 +02:00 |
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6122bf79d8
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Added tests for vector
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2020-10-02 15:49:09 +02:00 |
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13b791e321
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Added phantom types to Vectors
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2020-10-02 14:44:09 +02:00 |
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70fe4145f3
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Added RR
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2020-09-26 16:45:52 +02:00 |
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58d4c2695a
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Initial new repo
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2020-09-26 12:02:53 +02:00 |
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