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8a8e4a939c
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excitation energy
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2019-04-01 16:32:55 +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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fdba3ff0ee
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cleanup
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2019-03-19 10:13:18 +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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cf996baa88
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dft
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2019-03-17 15:38:39 +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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60ffffcb6b
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options for CC
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2019-03-16 22:40:54 +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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b41fbba515
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CCD is working
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2019-03-16 14:09:42 +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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12d5e8ffd3
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CCSD under progress
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2019-03-15 23:18:41 +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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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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a3b5d63ca2
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Fixing IntPak
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2019-03-13 11:34:51 +01:00 |
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f4329480ba
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merging quack with eDFT
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2019-03-13 11:07:31 +01:00 |
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7b1b833264
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option file for integrals
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2019-03-13 10:43:13 +01:00 |
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e87ac4a88e
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cleanup done
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2019-03-13 10:14:03 +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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