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aadf942f83
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curvature corrected functional revisited
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2021-11-24 10:25:48 +01:00 |
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cec0fe9205
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working on RPA third channel
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2021-11-10 09:42:30 +01:00 |
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388db3ca6e
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HF individual energy working
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2021-11-08 09:55:39 +01:00 |
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ac5955ab27
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fix print in CCSD
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2021-11-06 14:36:54 +01:00 |
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35f1ba916b
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fix bug in evGT
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2021-09-27 15:57:26 +02:00 |
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ab45790280
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correcting printing error in G0W0
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2021-09-09 15:10:19 +02:00 |
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9eca749bce
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qsGW
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2021-06-25 10:19:42 +02:00 |
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5e6e95b887
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update before antoine mess
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2021-05-19 14:50:25 +02:00 |
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6d590f237f
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fix bug in URPA
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2021-04-01 22:04:23 +02:00 |
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114ac2d1d1
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debug qsGW and qsGF
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2021-03-27 15:03:54 +01:00 |
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372a1a3b0e
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dipole in UKS
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2021-03-25 11:05:56 +01:00 |
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ed2992bc85
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clean up qsGW print
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2021-03-23 22:35:46 +01:00 |
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cecaf03c57
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static screening
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2021-03-05 17:29:52 +01:00 |
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75ec2443c1
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stability analysis
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2021-03-03 11:37:46 +01:00 |
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a7594c270a
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UPBE
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2021-02-26 09:55:10 +01:00 |
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5dd286aa43
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PBE exchange
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2021-02-11 22:32:48 +01:00 |
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96e3dfe5e0
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guess mix in eDFT
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2021-01-31 23:24:25 +01:00 |
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e1bb48eac8
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fix eDFT for fractional spin
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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
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print qsUGW
|
2020-12-10 09:19:58 +01:00 |
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5b4dd9982c
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fix bug in pCC
|
2020-11-05 15:51:33 +01:00 |
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fc4a062326
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mix guess for UHF
|
2020-10-27 17:23:48 +01:00 |
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2e6662056c
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working on qsUGW
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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
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xyz files
|
2020-10-12 14:30:00 +02:00 |
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