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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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404746ad04
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LIM
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2020-03-18 11:10:21 +01:00 |
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a5163dbbcb
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Debug in progress
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2020-03-17 22:39:04 +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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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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fc73914faa
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graphical GW
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2020-03-12 15:04:16 +01:00 |
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c8855d8aed
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more clean up
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2020-03-11 17:55:42 +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
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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
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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
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2020-01-25 15:49:09 +01:00 |
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9e3c3f9c89
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eta in linear response
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2020-01-23 21:22:41 +01:00 |
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31a159f47a
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examples
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2020-01-17 17:35:40 +01:00 |
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1d9eb104a6
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clean up
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2020-01-17 13:45:02 +01:00 |
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e01a34d6ba
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RPAx AC vs Tr
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2020-01-16 23:13:47 +01:00 |
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8dfd69db80
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exchange kernel
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2020-01-16 21:39:00 +01:00 |
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4f37593b5e
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bug fix
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2020-01-15 09:52:37 +01:00 |
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43a4ed34c2
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looking for a bug
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2020-01-14 22:56:20 +01:00 |
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c2ac210e4c
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create BSE standalone routine
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2020-01-14 21:27:34 +01:00 |
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3ebcd29b19
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GW AC
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2020-01-14 16:36:11 +01:00 |
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c6ec8f91e9
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RPA and ACRPA
|
2020-01-13 23:08:03 +01:00 |
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3246143355
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Ec AC
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2020-01-08 10:17:19 +01:00 |
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1acf76b156
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remove ERI copy in qsGW
|
2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
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bug
|
2019-10-28 16:34:09 +01:00 |
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fb4251e419
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COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
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8c2b2f5e86
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spinorb Tmatrix
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2019-10-23 08:22:36 +02:00 |
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877f78f1a5
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T-matrix in spinorbitals
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2019-10-22 23:03:01 +02:00 |
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c22278f497
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singlet and triplet G0T0
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2019-10-20 08:18:58 +02:00 |
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8e07edaae0
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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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3c848e9244
|
ppRPA done
|
2019-10-15 23:20:43 +02:00 |
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0c6f1ee7d5
|
ppRPA done
|
2019-10-15 23:13:00 +02:00 |
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6ca04d4b44
|
pp-RPA
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2019-10-06 20:08:38 +02:00 |
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883a07db16
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huckel guess and ppRPA
|
2019-10-05 22:06:25 +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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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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5ab11e50bb
|
non-canonical CCSD
|
2019-09-11 14:47:18 +02:00 |
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4d6e969a54
|
ECMD
|
2019-07-15 12:07:54 +02:00 |
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2feb62101d
|
GW correction
|
2019-07-09 23:09:32 +02:00 |
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ba070b3484
|
GW correction
|
2019-07-09 17:25:21 +02:00 |
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