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a0b8383971
|
correct bug in evGW
|
2020-04-15 09:34:41 +02:00 |
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8433bf9281
|
bug print
|
2020-04-13 22:56:49 +02:00 |
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57003acb75
|
faster orthogonalization in ppRPA
|
2020-04-13 20:13:38 +02:00 |
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b96ea676fd
|
b4 removing soG0T0
|
2020-04-13 11:33:48 +02:00 |
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4983c8c16b
|
core in CC
|
2020-03-26 16:57:46 +01:00 |
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5ef788cbc9
|
pCCD and ppRPA
|
2020-03-24 12:28:56 +01:00 |
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6a0bf1f8ce
|
DIIS in CCD
|
2020-03-22 23:01:36 +01:00 |
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941ab79dc1
|
numgrid
|
2020-03-21 16:31:39 +01:00 |
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97d5958add
|
GF clean up
|
2020-03-19 10:59:20 +01:00 |
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5f75ec478b
|
GF clean up
|
2020-03-19 10:33:56 +01:00 |
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bcbeba2a7c
|
GF clean up
|
2020-03-19 10:21:18 +01:00 |
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d0020765fc
|
moved Cx in parameters
|
2020-03-18 16:06:29 +01:00 |
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f8bdfb1ceb
|
R and U density matrices
|
2020-03-15 14:33:53 +01:00 |
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0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
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24a6cfab90
|
moar clean up
|
2020-03-13 09:18:18 +01:00 |
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fc73914faa
|
graphical GW
|
2020-03-12 15:04:16 +01:00 |
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63e6be3b2c
|
BSE clean up
|
2020-03-11 16:41:20 +01:00 |
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08d97376f2
|
ppRPA orlando orthogonalization
|
2020-03-07 08:58:50 +01:00 |
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b09cff2ff7
|
QP solutions
|
2020-02-12 12:25:24 +01:00 |
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9e3c3f9c89
|
eta in linear response
|
2020-01-23 21:22:41 +01:00 |
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76aa00962d
|
nS
|
2020-01-22 09:20:18 +01:00 |
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31a159f47a
|
examples
|
2020-01-17 17:35:40 +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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|
|
4f37593b5e
|
bug fix
|
2020-01-15 09:52:37 +01:00 |
|
|
|
43a4ed34c2
|
looking for a bug
|
2020-01-14 22:56:20 +01:00 |
|
|
|
c2ac210e4c
|
create BSE standalone routine
|
2020-01-14 21:27:34 +01:00 |
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|
3246143355
|
Ec AC
|
2020-01-08 10:17:19 +01:00 |
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|
1acf76b156
|
remove ERI copy in qsGW
|
2019-10-30 10:31:05 +01:00 |
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|
|
72abe8a4f6
|
bug
|
2019-10-28 16:34:09 +01:00 |
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|
|
fb4251e419
|
COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
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|
|
8e07edaae0
|
G0T0 bug and clean up
|
2019-10-18 23:16:37 +02:00 |
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|
|
0c6f1ee7d5
|
ppRPA done
|
2019-10-15 23:13:00 +02:00 |
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|
|
b3f376a81b
|
debug ppRPA
|
2019-10-07 22:31:45 +02:00 |
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|
|
a5047e9b1a
|
T-matrix self-energy
|
2019-10-06 22:35:36 +02:00 |
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|
|
6ca04d4b44
|
pp-RPA
|
2019-10-06 20:08:38 +02:00 |
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|
|
883a07db16
|
huckel guess and ppRPA
|
2019-10-05 22:06:25 +02:00 |
|
|
|
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
|
2019-09-26 21:36:46 +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 |
|
|
|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
|
|
|
153fe069aa
|
qsGW fix bug
|
2019-09-21 08:53:29 +02:00 |
|
|
|
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 |
|
|
|
b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
|
|
|
ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
|
|
|
f345b8e2be
|
BSE Ec
|
2019-05-04 17:13:50 +02:00 |
|
