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ab2e798726
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debug from clotilde for N-centered
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2021-10-13 18:06:16 +02:00 |
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ba0e0c1731
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ispinloop
|
2021-10-12 14:40:40 +02:00 |
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b24950b706
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bug in UG0F2
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2021-10-08 15:18:21 +02:00 |
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19c8e44739
|
fix bug in UG0F2 and evUGF2
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2021-10-04 16:41:09 +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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3349b92e55
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add G0T0
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2021-07-06 11:57:13 +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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e77365c593
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MOM
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2021-05-19 15:15:31 +02:00 |
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378bfd9356
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RMOM
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2021-05-19 15:11:44 +02:00 |
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5e6e95b887
|
update before antoine mess
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2021-05-19 14:50:25 +02:00 |
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4cd96d2aa4
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OK for RPA/RPAx/GW
|
2021-04-02 09:53:23 +02:00 |
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78b0f7abb9
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fix bug in URPAx
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2021-04-01 22:54:23 +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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80c77efe47
|
qsGF print
|
2021-03-27 15:06:51 +01:00 |
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246f4dea48
|
add G0W0
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2021-03-27 15:04:18 +01:00 |
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114ac2d1d1
|
debug qsGW and qsGF
|
2021-03-27 15:03:54 +01:00 |
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210314bcd0
|
fix bug in print qsUGF2
|
2021-03-25 16:01:06 +01:00 |
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372a1a3b0e
|
dipole in UKS
|
2021-03-25 11:05:56 +01:00 |
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ed2992bc85
|
clean up qsGW print
|
2021-03-23 22:35:46 +01:00 |
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d01e7c248c
|
debug qsGF2/qsUGF2
|
2021-03-23 19:50:46 +01:00 |
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b5a28cca0d
|
EcGM
|
2021-03-15 15:43:51 +01:00 |
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dd568d8806
|
evUGF2
|
2021-03-08 20:09:54 +01:00 |
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72470287f7
|
UG0F2
|
2021-03-08 17:00:05 +01:00 |
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2d826d0f1e
|
working on qsUGF2
|
2021-03-07 23:04:47 +01:00 |
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29ed74cba0
|
qsUGF2
|
2021-03-07 22:44:37 +01:00 |
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533e88e8fa
|
qsUGF2
|
2021-03-07 22:19:42 +01:00 |
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3ced7a8846
|
GF move
|
2021-03-07 17:17:18 +01:00 |
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7fd5abe76f
|
clean up GM again
|
2021-03-06 23:08:43 +01:00 |
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96fa82931d
|
GF2 clean up
|
2021-03-06 15:27:35 +01:00 |
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ab7cf0401e
|
qsGF2
|
2021-03-05 22:34:48 +01:00 |
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cecaf03c57
|
static screening
|
2021-03-05 17:29:52 +01:00 |
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013fff95b6
|
fix bug RPAx
|
2021-03-04 15:09:56 +01:00 |
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3d1da67d33
|
fix bug
|
2021-03-04 15:07:39 +01:00 |
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6daf1dd5ab
|
fix bug
|
2021-03-04 15:07:01 +01:00 |
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eeadbf5c55
|
fix bug
|
2021-03-04 15:06:16 +01:00 |
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75ec2443c1
|
stability analysis
|
2021-03-03 11:37:46 +01:00 |
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1a33dde2ab
|
remove libxc
|
2021-03-01 15:03:44 +01:00 |
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7c1304af91
|
UPBE
|
2021-03-01 15:01:47 +01:00 |
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5f55c1af4d
|
fixing up qsGW Ec
|
2021-03-01 14:55:29 +01:00 |
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|
a7594c270a
|
UPBE
|
2021-02-26 09:55:10 +01:00 |
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a594e0fa7c
|
PW92
|
2021-02-25 15:02:35 +01:00 |
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|
622cf19331
|
potental PW92
|
2021-02-25 15:02:16 +01:00 |
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|
272e47ed27
|
UVWN3 for Gaussian B3LYP
|
2021-02-25 10:55:08 +01:00 |
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|
ede8862d67
|
fix bug in T matrix
|
2021-02-16 10:00:01 +01:00 |
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6e82622670
|
make UKS easier
|
2021-02-15 22:31:41 +01:00 |
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ba7a2349af
|
fix QP graph
|
2021-02-15 22:15:30 +01:00 |
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a2155a4ae6
|
T-matrix with KS starting point
|
2021-02-15 22:00:19 +01:00 |
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|
144b5904cb
|
fix small bug
|
2021-02-15 21:44:24 +01:00 |
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|
|
0f28af6d50
|
Vxc in GW
|
2021-02-15 17:27:06 +01:00 |
|
