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0be0d5d8c3
|
revive eDFT code
|
2020-03-14 23:00:44 +01:00 |
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6b7ebf8158
|
clean up ACFDT
|
2020-03-13 10:25:20 +01:00 |
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150b669953
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check BSE
|
2020-03-13 09:49:08 +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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c8855d8aed
|
more clean up
|
2020-03-11 17:55:42 +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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af17fb153f
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RPAx
|
2020-01-28 09:00:11 +01:00 |
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395da84680
|
clean up
|
2020-01-25 15:49:09 +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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22d83c824f
|
new files
|
2020-01-17 15:31:38 +01:00 |
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|
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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 |
|
|
|
43a4ed34c2
|
looking for a bug
|
2020-01-14 22:56:20 +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 |
|
|
|
fb4251e419
|
COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
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|
|
8c2b2f5e86
|
spinorb Tmatrix
|
2019-10-23 08:22:36 +02:00 |
|
|
|
877f78f1a5
|
T-matrix in spinorbitals
|
2019-10-22 23:03:01 +02:00 |
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|
|
c22278f497
|
singlet and triplet G0T0
|
2019-10-20 08:18:58 +02:00 |
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|
|
8e07edaae0
|
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 |
|
|
|
0c6f1ee7d5
|
ppRPA done
|
2019-10-15 23:13:00 +02:00 |
|
|
|
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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|
|
bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
|
|
|
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 |
|
|
|
ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
|
|
|
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 |
|
|
|
5ab11e50bb
|
non-canonical CCSD
|
2019-09-11 14:47:18 +02:00 |
|
|
|
4d6e969a54
|
ECMD
|
2019-07-15 12:07:54 +02:00 |
|
|
|
ba070b3484
|
GW correction
|
2019-07-09 17:25:21 +02:00 |
|
|
|
c477b848ac
|
basis correction
|
2019-07-09 16:17:10 +02:00 |
|
|
|
b18613c763
|
TDHF Ec
|
2019-05-23 09:53:23 +02:00 |
|
|
|
bfe2f78b66
|
add lib directory
|
2019-05-08 09:10:46 +02:00 |
|
|
|
bd44ad4ffb
|
correcting bug in read_integrals
|
2019-05-08 08:59:26 +02:00 |
|
|
|
ce7d0118ab
|
sph ready
|
2019-05-07 22:55:36 +02:00 |
|
|
|
f345b8e2be
|
BSE Ec
|
2019-05-04 17:13:50 +02:00 |
|
|
|
a963b22293
|
debugging
|
2019-04-29 09:43:33 +02:00 |
|
