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ff82232fe5
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fix bug in printing qsGW energy after BSE
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2019-09-23 13:31:01 +02:00 |
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6b052421a8
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script for scan
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2019-09-22 22:22:52 +02:00 |
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8dbd12ecac
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eta parameter
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2019-09-22 21:15:53 +02:00 |
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153fe069aa
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qsGW fix bug
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2019-09-21 08:53:29 +02:00 |
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b7475c58cf
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huckel guess
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2019-09-20 22:28:01 +02:00 |
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c477b848ac
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basis correction
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2019-07-09 16:17:10 +02:00 |
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b18613c763
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TDHF Ec
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2019-05-23 09:53:23 +02:00 |
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ce7d0118ab
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sph ready
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2019-05-07 22:55:36 +02:00 |
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f345b8e2be
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BSE Ec
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2019-05-04 17:13:50 +02:00 |
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a963b22293
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debugging
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2019-04-29 09:43:33 +02:00 |
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a03e011301
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sph ready
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2019-04-24 15:33:04 +02:00 |
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042d6ac8ff
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fix CC
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2019-04-19 10:31:14 +02:00 |
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31e3707ce6
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Sph
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2019-04-02 22:58:24 +02:00 |
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d27591b14c
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IntPak read geom fixed
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2019-03-31 22:28:04 +02:00 |
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60ffffcb6b
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options for CC
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2019-03-16 22:40:54 +01:00 |
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9053823050
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CCSD under progress
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2019-03-15 21:47:34 +01:00 |
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3059085d57
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MCQC under serious work
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2019-03-13 16:15:53 +01:00 |
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355e5026d9
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AOtoMO OOOOOO
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2019-03-13 15:02:16 +01:00 |
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86964672d7
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inital commit for quack
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2019-02-07 22:49:12 +01:00 |
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