|
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b83b23913e
|
ROHF OK
|
2019-02-26 12:05:14 +01:00 |
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|
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4452d445f5
|
Working on parallelism
|
2019-02-25 14:37:20 +01:00 |
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|
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47691d0a0a
|
Determinant space OK
|
2019-02-20 19:43:16 +01:00 |
|
|
|
8454863e91
|
Cleaned simulation
|
2019-02-20 18:15:15 +01:00 |
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|
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b858e8a4b8
|
Added Anderson's algorithm
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2019-02-19 17:36:07 +01:00 |
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cc000f6bba
|
Double excitations
|
2019-02-18 19:45:41 +01:00 |
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|
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883e369b4e
|
Fixed 4-idx
|
2018-08-05 00:31:48 +02:00 |
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4f41af9e31
|
Four-idx transformation
|
2018-07-20 16:10:20 +02:00 |
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|
|
955f9d014b
|
Added tests for AOBasis
|
2018-07-05 00:39:44 +02:00 |
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|
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8ded68a447
|
Added stream in Four_idx
|
2018-06-28 14:43:24 +02:00 |
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|
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e4a3e1da97
|
Fixed overflow in Boys function
|
2018-06-27 13:13:59 +02:00 |
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|
|
eb54ee8ab5
|
Pretty print RHF
|
2018-05-30 18:07:05 +02:00 |
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|
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25b3c41c50
|
Documentation
|
2018-05-30 09:46:57 +02:00 |
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|
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45d0c546ad
|
Spherical works
|
2018-05-30 01:15:45 +02:00 |
|
|
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57f8c0710c
|
Canonical orthogonalization OK in cart. TODO: spherical.
|
2018-05-28 19:58:40 +02:00 |
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|
|
0face5817e
|
More functional
|
2018-03-22 00:29:14 +01:00 |
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|
|
5d73ec5144
|
ContractedAtomicShell
|
2018-03-20 14:11:31 +01:00 |
|
|
|
cc3ae9b8a3
|
Pretty printers
|
2018-03-15 15:25:49 +01:00 |
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|
|
f139be5286
|
Documentation
|
2018-03-06 18:25:54 +01:00 |
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|
|
8918f49302
|
Documentation
|
2018-02-24 23:57:38 +01:00 |
|
