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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
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AC@BSE@GT
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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
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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
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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
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spin flip for CIS and TDHF almost done
|
2020-10-05 16:58:19 +02:00 |
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75ece830a6
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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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