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4d6e969a54
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ECMD
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2019-07-15 12:07:54 +02:00 |
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ab7a4609b7
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GW correction
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2019-07-09 23:10:22 +02:00 |
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2feb62101d
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GW correction
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2019-07-09 23:09:32 +02:00 |
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7377e5e649
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GW correction
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2019-07-09 17:26:36 +02:00 |
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ba070b3484
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GW correction
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2019-07-09 17:25:21 +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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ad3d77cda6
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adding files
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2019-05-07 22:57:57 +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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b93ee21573
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fix bug in GF2
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2019-04-29 09:52:21 +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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31e3707ce6
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Sph
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2019-04-02 22:58:24 +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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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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89494730fa
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Fix dummy atom X
|
2019-03-31 22:28:59 +02:00 |
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d27591b14c
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IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
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84e906db3e
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DFT grid
|
2019-03-20 21:01:34 +01:00 |
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b5a19f38ee
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DFT grid
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2019-03-20 21:01:09 +01:00 |
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0405a53fa8
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typos EOM
|
2019-03-20 21:00:05 +01:00 |
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ca3a985d50
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create utils
|
2019-03-20 13:38:42 +01:00 |
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9a3691eff0
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EOM-CC under way
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2019-03-19 23:02:47 +01:00 |
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a34e444fa0
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EOM-CC under way
|
2019-03-19 23:02:22 +01:00 |
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3ee4b0855a
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xcDFT -> eDFT
|
2019-03-19 11:33:49 +01:00 |
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599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
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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
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cleanup
|
2019-03-19 10:13:18 +01:00 |
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1623792de0
|
clean up
|
2019-03-19 09:50:02 +01:00 |
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6b594c3585
|
clean up
|
2019-03-19 09:49:38 +01:00 |
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60269ea3ce
|
UHF code
|
2019-03-19 09:30:14 +01:00 |
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5aaa2addcf
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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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bc8d86eeaa
|
CCSD is working
|
2019-03-16 21:16:19 +01:00 |
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b41fbba515
|
CCD is working
|
2019-03-16 14:09:42 +01:00 |
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99acd24d99
|
CCSD(T) coded up
|
2019-03-16 09:06:00 +01:00 |
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12d5e8ffd3
|
CCSD under progress
|
2019-03-15 23:18:41 +01:00 |
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9053823050
|
CCSD under progress
|
2019-03-15 21:47:34 +01:00 |
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5f015026e4
|
CCD
|
2019-03-15 10:08:19 +01:00 |
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51920c0ada
|
CCD coded
|
2019-03-15 09:58:53 +01:00 |
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cd9bf9aaba
|
new files
|
2019-03-13 16:25:27 +01:00 |
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ca96c59429
|
new files
|
2019-03-13 16:18:06 +01:00 |
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3059085d57
|
MCQC under serious work
|
2019-03-13 16:15:53 +01:00 |
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|
355e5026d9
|
AOtoMO OOOOOO
|
2019-03-13 15:02:16 +01:00 |
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6f694db086
|
Fixing up xcDFT
|
2019-03-13 12:56:02 +01:00 |
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|
1d5ea165b1
|
Fixing up xcDFT
|
2019-03-13 12:06:10 +01:00 |
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|
247bc25db5
|
Fixing up MCQC
|
2019-03-13 12:04:46 +01:00 |
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|
a3b5d63ca2
|
Fixing IntPak
|
2019-03-13 11:34:51 +01:00 |
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f4329480ba
|
merging quack with eDFT
|
2019-03-13 11:07:31 +01:00 |
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|
|
2c5e48aa1a
|
option file for integrals
|
2019-03-13 10:42:43 +01:00 |
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|
6f2d4153a9
|
o file GONE
|
2019-03-13 10:11:29 +01:00 |
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|
|
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 |
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|
|
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 |
|
|
|
905a4821cd
|
remove xcDFT
|
2019-02-07 22:54:43 +01:00 |
|
|
|
86964672d7
|
inital commit for quack
|
2019-02-07 22:49:12 +01:00 |
|
