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79949f7bca
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Using MO basis => fast!!!
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2009-05-15 17:18:39 +02:00 |
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b61b8e51e3
|
Parallel and OK.
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2009-05-15 01:01:27 +02:00 |
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2a64971195
|
d_up_up is negative for open shell => bug
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2009-05-14 17:48:27 +02:00 |
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1284eab958
|
Numeric integrals for test. Analytic integrals OK
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2009-05-14 15:25:18 +02:00 |
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af8b3d3dfc
|
Seems OK
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2009-05-14 00:45:29 +02:00 |
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dd5ad983c0
|
Provide overlap matrix
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2009-05-12 00:02:55 +02:00 |
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44b010d794
|
Integral over contracted basis functions OK.
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2009-05-11 23:43:45 +02:00 |
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432cbe0736
|
Obara Saika for primitive overlap integral
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2009-05-11 22:17:21 +02:00 |
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