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51016fd5c1
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clean up + AC
|
2020-01-14 14:44:01 +01:00 |
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c6ec8f91e9
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RPA and ACRPA
|
2020-01-13 23:08:03 +01:00 |
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1acf76b156
|
remove ERI copy in qsGW
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2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
|
bug
|
2019-10-28 16:34:09 +01:00 |
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877f78f1a5
|
T-matrix in spinorbitals
|
2019-10-22 23:03:01 +02:00 |
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8e07edaae0
|
G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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6e3abd8927
|
starting G0T0
|
2019-10-16 18:14:47 +02:00 |
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0c6f1ee7d5
|
ppRPA done
|
2019-10-15 23:13:00 +02:00 |
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f8a9321cf0
|
pp-RPA starting to be OK
|
2019-10-15 17:56:27 +02:00 |
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a5047e9b1a
|
T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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923d1a8bd6
|
pp-RPA
|
2019-10-05 23:09:20 +02:00 |
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8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
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2feb62101d
|
GW correction
|
2019-07-09 23:09:32 +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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bfe2f78b66
|
add lib directory
|
2019-05-08 09:10:46 +02:00 |
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bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
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|
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ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
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b93ee21573
|
fix bug in GF2
|
2019-04-29 09:52:21 +02:00 |
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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 |
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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 |
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881220a97f
|
fix DIIS in GW
|
2019-04-01 15:53:39 +02:00 |
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a34e444fa0
|
EOM-CC under way
|
2019-03-19 23:02:22 +01:00 |
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3ee4b0855a
|
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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4c821fe4ac
|
cleanup
|
2019-03-19 10:13:33 +01:00 |
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