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92ac2d2eea
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Reset Huckel guess
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2020-12-08 23:18:47 +01:00 |
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008d1b9e8f
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Improved huckel guess
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2020-12-08 20:37:20 +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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3ec31857f9
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Try to fix travis NaN
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2020-08-28 23:57:11 +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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f536aea568
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updated tests
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2020-05-26 09:52:06 +02:00 |
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bdc065a68f
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Fixing tests
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2020-05-26 02:52:10 +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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Emmanuel Giner
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c4ded9dcfb
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added basis correction and test
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2020-04-06 15:06:16 +02:00 |
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Emmanuel Giner
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f4fa819249
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cleaning in dft
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2020-03-30 17:40:24 +02:00 |
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5d6805f926
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Fixing tests
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2020-02-05 14:27:28 +01:00 |
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8af3e708ad
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Fixing tests
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2020-02-05 13:11:04 +01:00 |
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a812993d8c
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Fixed tests
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2020-02-05 11:48:44 +01:00 |
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Emmanuel Giner LCT
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40239f100c
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Merge alors
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2019-10-24 13:56:53 +02:00 |
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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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