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883a07db16
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huckel guess and ppRPA
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2019-10-05 22:06:25 +02:00 |
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55f7bffd76
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fix bug in evGW for BSE Ec
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2019-10-01 14:53:36 +02:00 |
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bf43db038e
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done
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2019-09-26 22:46:32 +02:00 |
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5871d6fad3
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stupid big in qsGW BSE
|
2019-09-26 21:43:06 +02:00 |
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d9efdc53bf
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stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
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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
|
2019-07-09 16:17:10 +02:00 |
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b18613c763
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TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
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bfe2f78b66
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add lib directory
|
2019-05-08 09:10:46 +02:00 |
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b05d50eaa6
|
correcting bug in MOM
|
2019-05-08 09:06:14 +02:00 |
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bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
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ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
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f345b8e2be
|
BSE Ec
|
2019-05-04 17:13:50 +02:00 |
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634e0ecf09
|
fix bug in GF3
|
2019-04-29 09:54:36 +02:00 |
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a963b22293
|
debugging
|
2019-04-29 09:43:33 +02:00 |
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dd2ee22779
|
time QuAcK
|
2019-04-24 18:00:54 +02:00 |
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a03e011301
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sph ready
|
2019-04-24 15:33:04 +02:00 |
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042d6ac8ff
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fix CC
|
2019-04-19 10:31:14 +02:00 |
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deb5144161
|
sph int
|
2019-04-18 23:22:23 +02:00 |
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8ad895ad85
|
cleanup excitation_energy
|
2019-04-02 09:59:30 +02:00 |
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881220a97f
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fix DIIS in GW
|
2019-04-01 15:53:39 +02:00 |
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d27591b14c
|
IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
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599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +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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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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c4578a902e
|
CCSD(T) is working
|
2019-03-16 21:41:03 +01:00 |
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bc8d86eeaa
|
CCSD is working
|
2019-03-16 21:16:19 +01:00 |
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99acd24d99
|
CCSD(T) coded up
|
2019-03-16 09:06:00 +01:00 |
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51920c0ada
|
CCD coded
|
2019-03-15 09:58:53 +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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86964672d7
|
inital commit for quack
|
2019-02-07 22:49:12 +01:00 |
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