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ce49b45449
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Reimplemented arbitrary space
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2019-03-03 01:43:04 +01:00 |
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bdb547c346
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Cleaned RHF
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2019-03-01 11:47:13 +01:00 |
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1bff2c9fcc
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Davidson works
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2019-02-27 14:56:59 +01:00 |
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b83b23913e
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ROHF OK
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2019-02-26 12:05:14 +01:00 |
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4452d445f5
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Working on parallelism
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2019-02-25 14:37:20 +01:00 |
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47691d0a0a
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Determinant space OK
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2019-02-20 19:43:16 +01:00 |
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8454863e91
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Cleaned simulation
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2019-02-20 18:15:15 +01:00 |
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b858e8a4b8
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Added Anderson's algorithm
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2019-02-19 17:36:07 +01:00 |
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cc000f6bba
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Double excitations
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2019-02-18 19:45:41 +01:00 |
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883e369b4e
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Fixed 4-idx
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2018-08-05 00:31:48 +02:00 |
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4f41af9e31
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Four-idx transformation
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2018-07-20 16:10:20 +02:00 |
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955f9d014b
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Added tests for AOBasis
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2018-07-05 00:39:44 +02:00 |
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8ded68a447
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Added stream in Four_idx
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2018-06-28 14:43:24 +02:00 |
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e4a3e1da97
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Fixed overflow in Boys function
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2018-06-27 13:13:59 +02:00 |
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eb54ee8ab5
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Pretty print RHF
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2018-05-30 18:07:05 +02:00 |
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25b3c41c50
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Documentation
|
2018-05-30 09:46:57 +02:00 |
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45d0c546ad
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Spherical works
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2018-05-30 01:15:45 +02:00 |
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57f8c0710c
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Canonical orthogonalization OK in cart. TODO: spherical.
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2018-05-28 19:58:40 +02:00 |
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0face5817e
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More functional
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2018-03-22 00:29:14 +01:00 |
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5d73ec5144
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ContractedAtomicShell
|
2018-03-20 14:11:31 +01:00 |
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cc3ae9b8a3
|
Pretty printers
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2018-03-15 15:25:49 +01:00 |
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f139be5286
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Documentation
|
2018-03-06 18:25:54 +01:00 |
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8918f49302
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Documentation
|
2018-02-24 23:57:38 +01:00 |
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