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b3f376a81b
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debug ppRPA
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2019-10-07 22:31:45 +02:00 |
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349b5439dd
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scan
|
2019-10-06 22:39:11 +02:00 |
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bf1f8ba2ca
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new examples
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2019-10-06 22:37:51 +02:00 |
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a5047e9b1a
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T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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6ca04d4b44
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pp-RPA
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2019-10-06 20:08:38 +02:00 |
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9926f50ef4
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new keyword for ppRPA
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2019-10-05 23:32:17 +02:00 |
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923d1a8bd6
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pp-RPA
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2019-10-05 23:09:20 +02:00 |
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883a07db16
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huckel guess and ppRPA
|
2019-10-05 22:06:25 +02:00 |
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55f7bffd76
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fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
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bf43db038e
|
done
|
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
|
stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
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bc834c0466
|
scan diatomics
|
2019-09-23 18:36:55 +02:00 |
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f17760ce6f
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:16 +02:00 |
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ff82232fe5
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fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
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6b052421a8
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script for scan
|
2019-09-22 22:22:52 +02:00 |
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8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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153fe069aa
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qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
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42e74dcca8
|
non-canonical CC
|
2019-09-11 20:56:36 +02:00 |
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5ab11e50bb
|
non-canonical CCSD
|
2019-09-11 14:47:18 +02:00 |
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9793c23357
|
COHSEX print
|
2019-07-15 14:22:32 +02:00 |
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arjanberger10
|
60636580b9
|
COHSEX
|
2019-07-15 14:19:45 +02:00 |
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de7e7aebf3
|
bin dir
|
2019-07-15 13:52:45 +02:00 |
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4d6e969a54
|
ECMD
|
2019-07-15 12:07:54 +02:00 |
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ab7a4609b7
|
GW correction
|
2019-07-09 23:10:22 +02:00 |
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2feb62101d
|
GW correction
|
2019-07-09 23:09:32 +02:00 |
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7377e5e649
|
GW correction
|
2019-07-09 17:26:36 +02:00 |
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|
ba070b3484
|
GW correction
|
2019-07-09 17:25:21 +02:00 |
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c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
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b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
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fb820d3142
|
add directories
|
2019-05-08 09:15:46 +02:00 |
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4d7e207010
|
add lib directory
|
2019-05-08 09:13:11 +02:00 |
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|
bfe2f78b66
|
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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|
|
ad3d77cda6
|
adding files
|
2019-05-07 22:57:57 +02:00 |
|
|
|
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 |
|
|
|
634e0ecf09
|
fix bug in GF3
|
2019-04-29 09:54:36 +02:00 |
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|
b93ee21573
|
fix bug in GF2
|
2019-04-29 09:52:21 +02:00 |
|
|
|
a963b22293
|
debugging
|
2019-04-29 09:43:33 +02:00 |
|
|
|
dd2ee22779
|
time QuAcK
|
2019-04-24 18:00:54 +02:00 |
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|
|
a03e011301
|
sph ready
|
2019-04-24 15:33:04 +02:00 |
|
|
|
042d6ac8ff
|
fix CC
|
2019-04-19 10:31:14 +02:00 |
|
|
|
deb5144161
|
sph int
|
2019-04-18 23:22:23 +02:00 |
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|
31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
|
|
|
8ad895ad85
|
cleanup excitation_energy
|
2019-04-02 09:59:30 +02:00 |
|
|
|
8a8e4a939c
|
excitation energy
|
2019-04-01 16:32:55 +02:00 |
|
|
|
881220a97f
|
fix DIIS in GW
|
2019-04-01 15:53:39 +02:00 |
|
