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auxbasis
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inital commit for quack
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2019-02-07 22:49:12 +01:00 |
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basis
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scaling of N-centered
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2020-09-29 09:43:01 +02:00 |
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dft
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scaling of N-centered
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2020-09-29 09:43:01 +02:00 |
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geminal
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MCQC under serious work
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2019-03-13 16:15:53 +01:00 |
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int
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fix problem with individual energies
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2020-07-08 10:55:03 +02:00 |
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methods
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update UGW
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2020-09-21 16:54:38 +02:00 |
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molecule
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scaling of N-centered
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2020-09-29 09:43:01 +02:00 |
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molecule.xyz
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scaling of N-centered
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2020-09-29 09:43:01 +02:00 |
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options
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UMP2
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2020-09-18 13:52:35 +02:00 |
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sph
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adding files
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2019-05-07 22:57:57 +02:00 |
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weight
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scaling of N-centered
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2020-09-29 09:43:01 +02:00 |
