Emmanuel Giner
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188ccf0d06
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removed bug in subroutine of dav_general_mat
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2022-01-20 20:10:50 +01:00 |
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Emmanuel Giner
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96b9884017
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added some orbitals freezing in scf utils
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2021-05-10 01:31:34 +02:00 |
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Emmanuel Giner
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5b8580fe2d
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some cleaning
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2021-01-02 15:40:03 +01:00 |
 Anthony Scemama
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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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Anthony Scemama
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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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Emmanuel Giner
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ee267e27e9
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minor modifs
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2020-09-21 15:38:26 +02:00 |
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Anthony Scemama
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75891f14b7
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Linear dependencies cutoff
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2020-05-25 11:31:28 +02:00 |
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Anthony Scemama
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24d9745056
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Initial commit
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2019-01-25 11:39:31 +01:00 |