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608a62dd6a
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remove construction of matrices in ppRPA
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2023-07-17 23:05:49 +02:00 |
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91954dba8d
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remove so GT routines
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2023-07-17 22:31:28 +02:00 |
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69faf94a4f
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renaming again
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2023-07-12 22:56:20 +02:00 |
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76bc19504d
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rename LR matrices
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2023-07-12 22:37:04 +02:00 |
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d207fb5173
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renaming LR routines and fix bug in Z GW
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2023-07-12 13:34:10 +02:00 |
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Antoine Marie
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545b5fb5e2
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trying to fix diverging version
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2023-06-30 16:47:26 +02:00 |
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Antoine Marie
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3a80069009
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openMP for GW
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2023-03-14 14:11:54 +01:00 |
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1f2f6634bb
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DIP- and DEA-EOM-CCD
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2022-09-27 14:07:31 +02:00 |
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68008e5738
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working on ppBSE@GT
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2022-09-09 21:48:50 +02:00 |
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13ed518704
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correct a few bugs in ppBSE
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2022-08-17 16:53:59 +02:00 |
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3acc640eee
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excitation vectors for ppRPA and ppBSE
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2022-08-17 15:52:13 +02:00 |
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93564f350d
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ppBSE@G0W0
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2022-08-17 14:32:14 +02:00 |
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86f501cb78
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ppURPA
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2022-02-15 13:51:18 +01:00 |
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d922666173
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UG0T0
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2022-02-08 11:57:15 +01:00 |
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a1e81ab7e5
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clean BSE2
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2022-02-01 11:42:31 +01:00 |
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f7718c8ab1
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clean linear response and static BSE2 kernel
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2022-01-31 13:19:42 +01:00 |
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0924ce1b3d
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clean ppURPA
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2022-01-29 11:47:35 +01:00 |
|
Pierre-Francois Loos
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0f7cde9766
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fix bug in eDFT rcond not initialized
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2022-01-24 10:29:27 +01:00 |
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978e8b6a2c
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OK with BSE@GT
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2022-01-09 23:13:17 +01:00 |
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695b407335
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OK with BSE@GT
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2022-01-09 23:12:21 +01:00 |
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41d160d1d6
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fix sign in GM@GT
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2022-01-07 15:14:00 +01:00 |
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16066f96d8
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rename routines in eDFT
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2022-01-07 09:13:38 +01:00 |
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3ecf94bbc9
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debugging BSE@GT
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2022-01-05 12:46:59 +01:00 |
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c7d353de18
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rename files in GT
|
2022-01-02 10:25:19 +01:00 |
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|
97c274a4f1
|
rename files in GT
|
2022-01-02 10:24:30 +01:00 |
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|
d6ee3863da
|
ppURPA
|
2021-12-31 12:49:13 +01:00 |
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|
2a5d6892b8
|
BSE@GT potentially correct
|
2021-12-21 13:49:41 +01:00 |
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|
55187b39c4
|
ppURPA updates
|
2021-12-16 12:28:28 +01:00 |
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|
5d5824ce14
|
ppURPA
|
2021-12-15 11:41:06 +01:00 |
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1dfee1e9fa
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set Fermi energy to zero in pp
|
2021-12-13 11:40:16 +01:00 |
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c379b80eac
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ACFDT for ppRPA
|
2021-11-18 13:34:08 +01:00 |
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ac5955ab27
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fix print in CCSD
|
2021-11-06 14:36:54 +01:00 |
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c4ac7f69e6
|
safer but slower orthogonalization in pp-RPA
|
2021-10-21 22:40:20 +02:00 |
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|
871e657d08
|
AC@BSE@GT
|
2021-10-18 23:12:43 +02:00 |
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|
22aeccb222
|
TDA in pp-RPA and GT
|
2021-10-18 22:05:26 +02:00 |
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|
6f11f0909f
|
clean up pp-RPA
|
2021-10-18 21:41:03 +02:00 |
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|
ec4ff2cc9f
|
debugging BSE@GT
|
2021-10-15 22:32:22 +02:00 |
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|
eda79e42ec
|
code done in BSE@GT
|
2021-10-15 16:56:16 +02:00 |
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|
35f1ba916b
|
fix bug in evGT
|
2021-09-27 15:57:26 +02:00 |
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|
ede8862d67
|
fix bug in T matrix
|
2021-02-16 10:00:01 +01:00 |
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|
96e3dfe5e0
|
guess mix in eDFT
|
2021-01-31 23:24:25 +01:00 |
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|
a5bd9c218b
|
ninja
|
2020-10-13 13:44:24 +02:00 |
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|
dbd15c2dae
|
bug fix in sf-BSE-dyn
|
2020-10-06 16:15:47 +02:00 |
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|
9212d69aa2
|
fix bug for zero electrons
|
2020-10-06 15:24:24 +02:00 |
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|
3433e3f99e
|
sf-BSE
|
2020-10-06 14:24:54 +02:00 |
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|
73e6c58852
|
S^2 spin flip almost OK
|
2020-10-05 23:00:56 +02:00 |
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|
3d2ca7529f
|
spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
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75ece830a6
|
clean up oscillator strength
|
2020-10-04 14:22:38 +02:00 |
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|
8879a6c14e
|
RPA -> LR
|
2020-10-04 13:58:55 +02:00 |
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