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8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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|
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
|
|
|
42e74dcca8
|
non-canonical CC
|
2019-09-11 20:56:36 +02:00 |
|
|
|
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 |
|
arjanberger10
|
60636580b9
|
COHSEX
|
2019-07-15 14:19:45 +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 |
|
|
|
2feb62101d
|
GW correction
|
2019-07-09 23:09:32 +02:00 |
|
|
|
7377e5e649
|
GW correction
|
2019-07-09 17:26:36 +02:00 |
|
|
|
ba070b3484
|
GW correction
|
2019-07-09 17:25:21 +02:00 |
|
|
|
c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
|
|
|
b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
|
|
|
bfe2f78b66
|
add lib directory
|
2019-05-08 09:10:46 +02:00 |
|
|
|
b05d50eaa6
|
correcting bug in MOM
|
2019-05-08 09:06:14 +02:00 |
|
|
|
bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
|
|
|
ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
|
|
|
f345b8e2be
|
BSE Ec
|
2019-05-04 17:13:50 +02:00 |
|
|
|
634e0ecf09
|
fix bug in GF3
|
2019-04-29 09:54:36 +02:00 |
|
|
|
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 |
|
|
|
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 |
|
|
|
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 |
|
|
|
0405a53fa8
|
typos EOM
|
2019-03-20 21:00:05 +01:00 |
|
|
|
ca3a985d50
|
create utils
|
2019-03-20 13:38:42 +01:00 |
|
|
|
9a3691eff0
|
EOM-CC under way
|
2019-03-19 23:02:47 +01:00 |
|
|
|
a34e444fa0
|
EOM-CC under way
|
2019-03-19 23:02:22 +01:00 |
|
|
|
3ee4b0855a
|
xcDFT -> eDFT
|
2019-03-19 11:33:49 +01:00 |
|
|
|
599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
|
|
|
a8dba8205c
|
removing SP files
|
2019-03-19 10:15:55 +01:00 |
|
|
|
4c821fe4ac
|
cleanup
|
2019-03-19 10:13:33 +01:00 |
|
