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2c8a303e40
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Added MP2
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2019-03-18 12:41:32 +01:00 |
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6d78d155f4
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Added functor for Two-electron integrals
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2019-03-08 17:47:58 +01:00 |
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0f2285b557
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Improved arbitrary space
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2019-03-04 23:27:08 +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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8454863e91
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Cleaned simulation
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2019-02-20 18:15:15 +01:00 |
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c8c00e1cf9
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Fixed makefile for doc
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2019-02-15 11:08:10 +01:00 |
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a194a1d61f
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Choosing MPI or not at configuration
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2019-01-15 15:17:34 +01:00 |
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be47e1c9c3
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Working on parallel
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2018-10-16 19:09:00 +02:00 |
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408b7692a6
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Initiated parallel
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2018-10-16 00:27:58 +02:00 |
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9ff27d2639
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Added sign in determinants
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2018-07-20 19:02:56 +02:00 |
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4f41af9e31
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Four-idx transformation
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2018-07-20 16:10:20 +02:00 |
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125e5dac4c
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Introduced Alcotest
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2018-07-04 20:24:57 +02:00 |
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3482e02695
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Working on DIIS
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2018-05-31 16:46:45 +02:00 |
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17c9aef254
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Opam package
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2018-03-28 01:50:19 +02:00 |
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