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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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5aaa2addcf
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adding missing files
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2019-03-17 15:37:55 +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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5f015026e4
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CCD
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2019-03-15 10:08:19 +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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cd9bf9aaba
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new files
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2019-03-13 16:25:27 +01:00 |
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ca96c59429
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new files
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2019-03-13 16:18:06 +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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6f694db086
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Fixing up xcDFT
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2019-03-13 12:56:02 +01:00 |
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1d5ea165b1
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Fixing up xcDFT
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2019-03-13 12:06:10 +01:00 |
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247bc25db5
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Fixing up MCQC
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2019-03-13 12:04:46 +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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2c5e48aa1a
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option file for integrals
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2019-03-13 10:42:43 +01:00 |
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9f4819bd25
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GoInt
|
2019-03-13 10:17:20 +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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6f2d4153a9
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o file GONE
|
2019-03-13 10:11:29 +01:00 |
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e8922e1684
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rrrr
|
2019-03-13 10:10:01 +01:00 |
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b00b059dbb
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remove object files
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2019-03-13 09:43:03 +01:00 |
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arjanberger10
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509d96d4bb
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bug fix excitation_density_from_MO.f90
|
2019-03-09 00:02:18 +01:00 |
|
arjanberger10
|
609615bd3a
|
G0W0+SOSEX (to be tested)
|
2019-02-19 00:02:56 +01:00 |
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arjanberger10
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28ca539933
|
GM correlaction energy added and correction to COHSEX self-energy
|
2019-02-14 22:42:07 +01:00 |
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53cfa3a04d
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adding Makefile + clean up
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2019-02-14 21:19:17 +01:00 |
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9906377635
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clean up
|
2019-02-08 10:41:15 +01:00 |
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baf1b605f7
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clean up
|
2019-02-08 10:39:47 +01:00 |
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712faef334
|
cleaning up
|
2019-02-07 22:59:11 +01:00 |
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68a4590f69
|
cleaning up
|
2019-02-07 22:57:35 +01:00 |
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17d07f773b
|
remove xcDFT
|
2019-02-07 22:55:20 +01:00 |
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f059f1374e
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Update README.md
|
2019-02-07 22:55:24 +01:00 |
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905a4821cd
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remove xcDFT
|
2019-02-07 22:54:43 +01:00 |
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eb324ad53e
|
Update README.md
|
2019-02-07 22:52:06 +01:00 |
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86964672d7
|
inital commit for quack
|
2019-02-07 22:49:12 +01:00 |
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b484fce849
|
Initial commit
|
2019-02-07 22:44:17 +01:00 |
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