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a02bebdd88
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iterative dynamic correction for BSE
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2020-05-21 16:13:52 +02:00 |
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0c6153de3f
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beyond TDA for dynamic BSE
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2020-05-20 16:46:07 +02:00 |
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431eab634d
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saving eDFT
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2020-05-05 16:45:10 +02:00 |
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54a938a909
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switch to eDFT
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2020-04-26 16:07:45 +02:00 |
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01e9f785c2
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dynamic screening in BSE
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2020-04-23 23:13:15 +02:00 |
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a2c2eb32b5
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dynamic correction
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2020-04-22 00:39:52 +02:00 |
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2b0244e010
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RS in GW
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2020-04-16 17:02:01 +02:00 |
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a0b8383971
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correct bug in evGW
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2020-04-15 09:34:41 +02:00 |
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8433bf9281
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bug print
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2020-04-13 22:56:49 +02:00 |
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57003acb75
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faster orthogonalization in ppRPA
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2020-04-13 20:13:38 +02:00 |
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b96ea676fd
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b4 removing soG0T0
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2020-04-13 11:33:48 +02:00 |
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4983c8c16b
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core in CC
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2020-03-26 16:57:46 +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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6a0bf1f8ce
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DIIS in CCD
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2020-03-22 23:01:36 +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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97d5958add
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GF clean up
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2020-03-19 10:59:20 +01:00 |
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5f75ec478b
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GF clean up
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2020-03-19 10:33:56 +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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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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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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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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b09cff2ff7
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QP solutions
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2020-02-12 12:25:24 +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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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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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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8e07edaae0
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G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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0c6f1ee7d5
|
ppRPA done
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2019-10-15 23:13:00 +02:00 |
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b3f376a81b
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debug ppRPA
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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
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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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55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
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d9efdc53bf
|
stupid big in qsGW BSE
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2019-09-26 21:36:46 +02:00 |
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ff82232fe5
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fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +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
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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153fe069aa
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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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b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +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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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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31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
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d27591b14c
|
IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
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|
60ffffcb6b
|
options for CC
|
2019-03-16 22:40:54 +01:00 |
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|
9053823050
|
CCSD under progress
|
2019-03-15 21:47:34 +01:00 |
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3059085d57
|
MCQC under serious work
|
2019-03-13 16:15:53 +01:00 |
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|
355e5026d9
|
AOtoMO OOOOOO
|
2019-03-13 15:02:16 +01:00 |
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|
86964672d7
|
inital commit for quack
|
2019-02-07 22:49:12 +01:00 |
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