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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
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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
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2019-10-30 10:31:05 +01:00 |
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72abe8a4f6
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bug
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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
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T matrix *might* be working
|
2019-10-17 22:07:41 +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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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
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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
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stupid big in qsGW BSE
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2019-09-26 21:36:46 +02:00 |
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bc834c0466
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scan diatomics
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2019-09-23 18:36:55 +02:00 |
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6b052421a8
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script for scan
|
2019-09-22 22:22:52 +02:00 |
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8dbd12ecac
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eta parameter
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2019-09-22 21:15:53 +02:00 |
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153fe069aa
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qsGW fix bug
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2019-09-21 08:53:29 +02:00 |
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b7475c58cf
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huckel guess
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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
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GW correction
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2019-07-09 23:09:32 +02:00 |
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ba070b3484
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GW correction
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2019-07-09 17:25:21 +02:00 |
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c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
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b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
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bfe2f78b66
|
add lib directory
|
2019-05-08 09:10:46 +02:00 |
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bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
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ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
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f345b8e2be
|
BSE Ec
|
2019-05-04 17:13:50 +02:00 |
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a963b22293
|
debugging
|
2019-04-29 09:43:33 +02:00 |
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dd2ee22779
|
time QuAcK
|
2019-04-24 18:00:54 +02:00 |
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a03e011301
|
sph ready
|
2019-04-24 15:33:04 +02:00 |
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042d6ac8ff
|
fix CC
|
2019-04-19 10:31:14 +02:00 |
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deb5144161
|
sph int
|
2019-04-18 23:22:23 +02:00 |
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