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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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76aa00962d
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nS
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2020-01-22 09:20:18 +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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22d83c824f
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new files
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2020-01-17 15:31:38 +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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4607acc649
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clean up
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2020-01-15 22:29:43 +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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51016fd5c1
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clean up + AC
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2020-01-14 14:44:01 +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
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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
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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
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starting G0T0
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2019-10-16 18:14:47 +02:00 |
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3c848e9244
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ppRPA done
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2019-10-15 23:20:43 +02:00 |
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0c6f1ee7d5
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ppRPA done
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2019-10-15 23:13:00 +02:00 |
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f8a9321cf0
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pp-RPA starting to be OK
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2019-10-15 17:56:27 +02:00 |
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b3f376a81b
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debug ppRPA
|
2019-10-07 22:31:45 +02:00 |
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a5047e9b1a
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T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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6ca04d4b44
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pp-RPA
|
2019-10-06 20:08:38 +02:00 |
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9926f50ef4
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new keyword for ppRPA
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2019-10-05 23:32:17 +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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55f7bffd76
|
fix bug in evGW for BSE Ec
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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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5871d6fad3
|
stupid big in qsGW BSE
|
2019-09-26 21:43:06 +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
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huckel guess
|
2019-09-20 22:28:01 +02:00 |
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