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610304c37a
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Accelerate HF
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2021-03-22 09:25:36 +01:00 |
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2465b1b91d
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Comment to optimize DIIS
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2021-03-21 10:26:03 +01:00 |
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8c4e5a3b15
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HF
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2021-03-01 13:15:21 +01:00 |
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18e0818e9d
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Fixed tests
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2020-11-11 16:54:41 +01:00 |
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6b2020d40d
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Orthogonalize MOs
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2020-11-11 10:26:36 +01:00 |
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6c930b70f5
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Added restoration of symmetry
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2020-11-11 01:12:52 +01:00 |
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202d00ca3a
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minor change
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2020-09-02 17:09:19 +02:00 |
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13abddef2d
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Orthogonalized PT2
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2020-08-31 23:31:10 +02:00 |
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614cf3b318
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Fixed NaN bug in DIIS
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2020-08-31 11:37:00 +02:00 |
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811cdf86a6
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updated tests
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2020-05-26 11:00:35 +02:00 |
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465737c85a
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DIIS stability
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2020-05-25 23:34:51 +02:00 |
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a460863632
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DIIS stability
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2020-05-25 23:32:23 +02:00 |
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5803482a60
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Fixed NaN in SCF
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2020-05-25 23:27:38 +02:00 |
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a90b446beb
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Fixed floating-point exceptions
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2020-05-25 19:22:10 +02:00 |
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2d81db3911
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More stable SCF
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2020-03-06 13:55:37 +01:00 |
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f4bff28cd1
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Warnings in documentation
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2019-01-29 17:09:08 +01:00 |
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |
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