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bc834c0466
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scan diatomics
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2019-09-23 18:36:55 +02:00 |
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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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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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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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bfe2f78b66
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add lib directory
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2019-05-08 09:10:46 +02:00 |
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b05d50eaa6
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correcting bug in MOM
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2019-05-08 09:06:14 +02:00 |
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bd44ad4ffb
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correcting bug in read_integrals
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2019-05-08 08:59:26 +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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634e0ecf09
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fix bug in GF3
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2019-04-29 09:54:36 +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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dd2ee22779
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time QuAcK
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2019-04-24 18:00:54 +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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deb5144161
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sph int
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2019-04-18 23:22:23 +02:00 |
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8ad895ad85
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cleanup excitation_energy
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2019-04-02 09:59:30 +02:00 |
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881220a97f
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fix DIIS in GW
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2019-04-01 15:53:39 +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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599182f5e5
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UHF is working
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2019-03-19 11:21:34 +01:00 |
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6b594c3585
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clean up
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2019-03-19 09:49:38 +01:00 |
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60269ea3ce
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UHF code
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2019-03-19 09:30:14 +01:00 |
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45bdb1354b
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GW fixed
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2019-03-17 12:33:09 +01:00 |
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154b395af2
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MP3 is working
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2019-03-17 10:27:06 +01:00 |
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c4578a902e
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CCSD(T) is working
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2019-03-16 21:41:03 +01:00 |
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bc8d86eeaa
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CCSD is working
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2019-03-16 21:16:19 +01:00 |
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99acd24d99
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CCSD(T) coded up
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2019-03-16 09:06:00 +01:00 |
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51920c0ada
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CCD coded
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2019-03-15 09:58:53 +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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