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3ee4b0855a
|
xcDFT -> eDFT
|
2019-03-19 11:33:49 +01:00 |
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|
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599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
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|
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00f6240697
|
removing examples
|
2019-03-19 10:19:41 +01:00 |
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5eea98a3fb
|
removing examples
|
2019-03-19 10:19:18 +01:00 |
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|
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c61de6af00
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
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|
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a8dba8205c
|
removing SP files
|
2019-03-19 10:15:55 +01:00 |
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4c821fe4ac
|
cleanup
|
2019-03-19 10:13:33 +01:00 |
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fdba3ff0ee
|
cleanup
|
2019-03-19 10:13:18 +01:00 |
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|
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1623792de0
|
clean up
|
2019-03-19 09:50:02 +01:00 |
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|
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6b594c3585
|
clean up
|
2019-03-19 09:49:38 +01:00 |
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|
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60269ea3ce
|
UHF code
|
2019-03-19 09:30:14 +01:00 |
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|
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cf996baa88
|
dft
|
2019-03-17 15:38:39 +01:00 |
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|
|
5aaa2addcf
|
adding missing files
|
2019-03-17 15:37:55 +01:00 |
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|
|
45bdb1354b
|
GW fixed
|
2019-03-17 12:33:09 +01:00 |
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|
|
154b395af2
|
MP3 is working
|
2019-03-17 10:27:06 +01:00 |
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|
|
60ffffcb6b
|
options for CC
|
2019-03-16 22:40:54 +01:00 |
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|
|
c4578a902e
|
CCSD(T) is working
|
2019-03-16 21:41:03 +01:00 |
|
|
|
bc8d86eeaa
|
CCSD is working
|
2019-03-16 21:16:19 +01:00 |
|
|
|
b41fbba515
|
CCD is working
|
2019-03-16 14:09:42 +01:00 |
|
|
|
99acd24d99
|
CCSD(T) coded up
|
2019-03-16 09:06:00 +01:00 |
|
|
|
12d5e8ffd3
|
CCSD under progress
|
2019-03-15 23:18:41 +01:00 |
|
|
|
9053823050
|
CCSD under progress
|
2019-03-15 21:47:34 +01:00 |
|
|
|
5f015026e4
|
CCD
|
2019-03-15 10:08:19 +01:00 |
|
|
|
51920c0ada
|
CCD coded
|
2019-03-15 09:58:53 +01:00 |
|
|
|
cd9bf9aaba
|
new files
|
2019-03-13 16:25:27 +01:00 |
|
|
|
ca96c59429
|
new files
|
2019-03-13 16:18:06 +01:00 |
|
|
|
3059085d57
|
MCQC under serious work
|
2019-03-13 16:15:53 +01:00 |
|
|
|
355e5026d9
|
AOtoMO OOOOOO
|
2019-03-13 15:02:16 +01:00 |
|
|
|
6f694db086
|
Fixing up xcDFT
|
2019-03-13 12:56:02 +01:00 |
|
|
|
1d5ea165b1
|
Fixing up xcDFT
|
2019-03-13 12:06:10 +01:00 |
|
|
|
247bc25db5
|
Fixing up MCQC
|
2019-03-13 12:04:46 +01:00 |
|
|
|
a3b5d63ca2
|
Fixing IntPak
|
2019-03-13 11:34:51 +01:00 |
|
|
|
f4329480ba
|
merging quack with eDFT
|
2019-03-13 11:07:31 +01:00 |
|
|
|
7b1b833264
|
option file for integrals
|
2019-03-13 10:43:13 +01:00 |
|
|
|
2c5e48aa1a
|
option file for integrals
|
2019-03-13 10:42:43 +01:00 |
|
|
|
9f4819bd25
|
GoInt
|
2019-03-13 10:17:20 +01:00 |
|
|
|
e87ac4a88e
|
cleanup done
|
2019-03-13 10:14:03 +01:00 |
|
|
|
6f2d4153a9
|
o file GONE
|
2019-03-13 10:11:29 +01:00 |
|
|
|
e8922e1684
|
rrrr
|
2019-03-13 10:10:01 +01:00 |
|
|
|
b00b059dbb
|
remove object files
|
2019-03-13 09:43:03 +01:00 |
|
arjanberger10
|
509d96d4bb
|
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 |
|
arjanberger10
|
28ca539933
|
GM correlaction energy added and correction to COHSEX self-energy
|
2019-02-14 22:42:07 +01:00 |
|
|
|
53cfa3a04d
|
adding Makefile + clean up
|
2019-02-14 21:19:17 +01:00 |
|
|
|
9906377635
|
clean up
|
2019-02-08 10:41:15 +01:00 |
|
|
|
baf1b605f7
|
clean up
|
2019-02-08 10:39:47 +01:00 |
|
|
|
712faef334
|
cleaning up
|
2019-02-07 22:59:11 +01:00 |
|
|
|
68a4590f69
|
cleaning up
|
2019-02-07 22:57:35 +01:00 |
|
|
|
17d07f773b
|
remove xcDFT
|
2019-02-07 22:55:20 +01:00 |
|
|
|
f059f1374e
|
Update README.md
|
2019-02-07 22:55:24 +01:00 |
|
