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954a33d07f
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fix bug
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2021-10-26 11:42:50 +02:00 |
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c4ac7f69e6
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safer but slower orthogonalization in pp-RPA
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2021-10-21 22:40:20 +02:00 |
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afdf87dc58
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OK for Hubbard
|
2021-10-15 21:01:56 +02:00 |
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e66405fa6d
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making Hubbard works
|
2021-10-15 19:30:00 +02:00 |
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35f1ba916b
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fix bug in evGT
|
2021-09-27 15:57:26 +02:00 |
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ab45790280
|
correcting printing error in G0W0
|
2021-09-09 15:10:19 +02:00 |
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9eca749bce
|
qsGW
|
2021-06-25 10:19:42 +02:00 |
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5e6e95b887
|
update before antoine mess
|
2021-05-19 14:50:25 +02:00 |
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6d590f237f
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fix bug in URPA
|
2021-04-01 22:04:23 +02:00 |
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114ac2d1d1
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debug qsGW and qsGF
|
2021-03-27 15:03:54 +01:00 |
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372a1a3b0e
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dipole in UKS
|
2021-03-25 11:05:56 +01:00 |
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ed2992bc85
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clean up qsGW print
|
2021-03-23 22:35:46 +01:00 |
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72470287f7
|
UG0F2
|
2021-03-08 17:00:05 +01:00 |
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ab7cf0401e
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qsGF2
|
2021-03-05 22:34:48 +01:00 |
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cecaf03c57
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static screening
|
2021-03-05 17:29:52 +01:00 |
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75ec2443c1
|
stability analysis
|
2021-03-03 11:37:46 +01:00 |
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a7594c270a
|
UPBE
|
2021-02-26 09:55:10 +01:00 |
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5dd286aa43
|
PBE exchange
|
2021-02-11 22:32:48 +01:00 |
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96e3dfe5e0
|
guess mix in eDFT
|
2021-01-31 23:24:25 +01:00 |
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e1bb48eac8
|
fix eDFT for fractional spin
|
2021-01-26 21:28:05 +01:00 |
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e793ceaeca
|
BCCD start
|
2021-01-05 15:51:52 +01:00 |
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e0a28f71bd
|
print qsUGW
|
2020-12-10 09:19:58 +01:00 |
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5b4dd9982c
|
fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
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|
5df03b58ac
|
bug fix in qsUGW
|
2020-11-03 21:47:57 +01:00 |
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fc4a062326
|
mix guess for UHF
|
2020-10-27 17:23:48 +01:00 |
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|
ff5b9e4e09
|
clean up basis sets
|
2020-10-26 14:52:11 +01:00 |
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2e6662056c
|
working on qsUGW
|
2020-10-21 12:09:18 +02:00 |
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a5cf80f709
|
FC for MP3
|
2020-10-19 13:57:56 +02:00 |
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cd4f187c9b
|
xyz files
|
2020-10-12 14:30:00 +02:00 |
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