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7b9bb6aca6
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F12 with modifiable parameters
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2020-05-08 01:16:55 +02:00 |
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6b6dc3af24
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mu_erf propagated from input
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2020-05-08 01:12:31 +02:00 |
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4e8efef264
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Added ScreenedERI
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2020-02-17 19:45:53 +01:00 |
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0462e19117
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Removed duplicated code
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2019-10-24 11:25:49 +02:00 |
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d1efe67e5a
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Working on f12.
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2019-05-07 17:00:44 +02:00 |
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33387b6c24
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Memory mapped 4idx
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2019-03-29 17:38:19 +01:00 |
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69faafb6f7
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FCIF12 OK for 2 electrons
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2019-03-26 18:02:22 +01:00 |
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0e34cde735
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Generalized F12
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2019-03-26 10:38:50 +01:00 |
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99f5fe0aef
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F12 matrix built as a stream
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2019-03-25 16:50:36 +01:00 |
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e63bec19d1
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Fixed expo_s and gamma
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2019-03-25 15:47:44 +01:00 |
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7fbab4236f
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F12 seems ok
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2019-03-25 15:20:01 +01:00 |
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075455fc9c
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Fixed bug in F12 integrals
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2019-03-25 10:54:23 +01:00 |
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e21aea2b16
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Merged
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2019-03-25 09:17:13 +01:00 |
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0a6b8e30a4
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Fixed f12 integrals
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2019-03-23 14:54:59 +01:00 |
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bb0b52f4ea
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F12 integrals
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2019-03-13 22:02:08 +01:00 |
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