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e163b9aefb
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Huckel is the default in run_hartree_fock
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2020-05-20 23:51:05 +02:00 |
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6e6ef8df2d
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MPI improved and 3-electron F12 optimized
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2020-02-05 17:41:57 +01:00 |
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acb2314be4
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Adapt for Notebooks
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2019-12-02 14:58:48 +01:00 |
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08e41378dd
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Rephasing
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2019-11-14 10:58:57 +01:00 |
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b72a1e251e
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Added Hartree-Fock guess with projection
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2019-03-04 19:01:54 +01:00 |
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5540db632c
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Fixed Farm
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2019-03-02 16:48:35 +01:00 |
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6e68eef645
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A lot of cleaning in HF
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2019-03-01 21:56:46 +01:00 |
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4b9e2016aa
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Some cleaning
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2019-03-01 11:50:48 +01:00 |
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61c380f31e
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Added Command_line module
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2019-02-25 14:36:59 +01:00 |
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ecf61058f9
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S2 is programmed in CI
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2019-02-22 19:19:11 +01:00 |
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1d4560418e
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Hartree-Fock is parallel
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2018-10-23 13:39:06 +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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c23821e098
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Added HartreeFock
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2018-02-23 18:44:31 +01:00 |
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