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438a36a82c
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lda centered
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2020-03-29 18:34:09 +02:00 |
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08a4d4e4e9
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spinorbital G0T0 OK
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2020-03-24 14:55:22 +01:00 |
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5ef788cbc9
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pCCD and ppRPA
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2020-03-24 12:28:56 +01:00 |
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a8d26d6e36
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numgrid test
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2020-03-23 17:26:12 +01:00 |
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a13ab94a52
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FC in pCCD
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2020-03-22 22:22:47 +01:00 |
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a3eef79eed
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more examples
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2020-03-21 21:14:07 +01:00 |
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a985f27142
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BSE in ppRPA
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2020-03-21 21:09:48 +01:00 |
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941ab79dc1
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numgrid
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2020-03-21 16:31:39 +01:00 |
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bcbeba2a7c
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GF clean up
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2020-03-19 10:21:18 +01:00 |
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d0020765fc
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moved Cx in parameters
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2020-03-18 16:06:29 +01:00 |
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862b34099a
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more examples
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2020-03-17 21:34:59 +01:00 |
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444a9f7bf1
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RVWN5
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2020-03-15 20:33:18 +01:00 |
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f8bdfb1ceb
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R and U density matrices
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2020-03-15 14:33:53 +01:00 |
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0be0d5d8c3
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revive eDFT code
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2020-03-14 23:00:44 +01:00 |
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6b7ebf8158
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clean up ACFDT
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2020-03-13 10:25:20 +01:00 |
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150b669953
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check BSE
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2020-03-13 09:49:08 +01:00 |
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24a6cfab90
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moar clean up
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2020-03-13 09:18:18 +01:00 |
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63e6be3b2c
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BSE clean up
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2020-03-11 16:41:20 +01:00 |
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08d97376f2
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ppRPA orlando orthogonalization
|
2020-03-07 08:58:50 +01:00 |
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c71ccda4df
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experimenting with QP_roots
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2020-02-12 21:44:35 +01:00 |
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b09cff2ff7
|
QP solutions
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2020-02-12 12:25:24 +01:00 |
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af17fb153f
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RPAx
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2020-01-28 09:00:11 +01:00 |
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395da84680
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clean up
|
2020-01-25 15:49:09 +01:00 |
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9e3c3f9c89
|
eta in linear response
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2020-01-23 21:22:41 +01:00 |
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76aa00962d
|
nS
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2020-01-22 09:20:18 +01:00 |
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31a159f47a
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examples
|
2020-01-17 17:35:40 +01:00 |
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22d83c824f
|
new files
|
2020-01-17 15:31:38 +01:00 |
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1d9eb104a6
|
clean up
|
2020-01-17 13:45:02 +01:00 |
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e01a34d6ba
|
RPAx AC vs Tr
|
2020-01-16 23:13:47 +01:00 |
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8dfd69db80
|
exchange kernel
|
2020-01-16 21:39:00 +01:00 |
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4607acc649
|
clean up
|
2020-01-15 22:29:43 +01:00 |
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3246143355
|
Ec AC
|
2020-01-08 10:17:19 +01:00 |
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72abe8a4f6
|
bug
|
2019-10-28 16:34:09 +01:00 |
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8e07edaae0
|
G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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6ca20e2ea3
|
T matrix *might* be working
|
2019-10-17 22:07:41 +02:00 |
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6e3abd8927
|
starting G0T0
|
2019-10-16 18:14:47 +02:00 |
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bf1f8ba2ca
|
new examples
|
2019-10-06 22:37:51 +02:00 |
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|
6ca04d4b44
|
pp-RPA
|
2019-10-06 20:08:38 +02:00 |
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923d1a8bd6
|
pp-RPA
|
2019-10-05 23:09:20 +02:00 |
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55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
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bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
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d9efdc53bf
|
stupid big in qsGW BSE
|
2019-09-26 21:36:46 +02:00 |
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bc834c0466
|
scan diatomics
|
2019-09-23 18:36:55 +02:00 |
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ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
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|
6b052421a8
|
script for scan
|
2019-09-22 22:22:52 +02:00 |
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|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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|
153fe069aa
|
qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
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b7475c58cf
|
huckel guess
|
2019-09-20 22:28:01 +02:00 |
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c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
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ad3d77cda6
|
adding files
|
2019-05-07 22:57:57 +02:00 |
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