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0e9edb30d2
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oscillator strength and dipole integrals
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2020-09-28 21:25:25 +02:00 |
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8910ead99f
|
big cleaning
|
2020-09-24 11:56:06 +02:00 |
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2a6f83dbf9
|
UBSE
|
2020-09-22 22:13:51 +02:00 |
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282cbcb517
|
UG0W0 OK
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2020-09-22 15:32:26 +02:00 |
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1d3e156838
|
UGW under progress
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2020-09-21 23:04:26 +02:00 |
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11949b84bc
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update UGW
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2020-09-21 16:54:38 +02:00 |
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91a0120eee
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fix problem with individual energies
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2020-07-08 10:55:03 +02:00 |
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a61fd351f9
|
fix option mismatch
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2020-06-17 22:10:08 +02:00 |
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69e8bdd49c
|
new options for dBSE
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2020-06-14 21:20:01 +02:00 |
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f7e90a9f99
|
spin in W
|
2020-06-14 13:04:16 +02:00 |
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b6bbeb3f3b
|
fix bug in BSE triplet
|
2020-06-09 21:24:37 +02:00 |
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29294ef5a4
|
BSE almost done
|
2020-06-01 22:01:21 +02:00 |
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2b0244e010
|
RS in GW
|
2020-04-16 17:02:01 +02:00 |
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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
|
check BSE
|
2020-03-13 09:49:08 +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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c71ccda4df
|
experimenting with QP_roots
|
2020-02-12 21:44:35 +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 |
|
|
1d9eb104a6
|
clean up
|
2020-01-17 13:45:02 +01:00 |
|
|
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 |
|
|
c2ac210e4c
|
create BSE standalone routine
|
2020-01-14 21:27:34 +01:00 |
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|
d84cff37b2
|
rename TDHF and co
|
2020-01-14 19:53:52 +01:00 |
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|
3ebcd29b19
|
GW AC
|
2020-01-14 16:36:11 +01:00 |
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|
51016fd5c1
|
clean up + AC
|
2020-01-14 14:44:01 +01:00 |
|
|
c6ec8f91e9
|
RPA and ACRPA
|
2020-01-13 23:08:03 +01:00 |
|
|
3246143355
|
Ec AC
|
2020-01-08 10:17:19 +01:00 |
|
|
72abe8a4f6
|
bug
|
2019-10-28 16:34:09 +01:00 |
|
|
fb4251e419
|
COHSEX done and debugged
|
2019-10-24 08:07:31 +02:00 |
|
|
55f7bffd76
|
fix bug in evGW for BSE Ec
|
2019-10-01 14:53:36 +02:00 |
|
|
ff82232fe5
|
fix bug in printing qsGW energy after BSE
|
2019-09-23 13:31:01 +02:00 |
|
|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
|
|
9793c23357
|
COHSEX print
|
2019-07-15 14:22:32 +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 |
|
|
31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
|
|
8ad895ad85
|
cleanup excitation_energy
|
2019-04-02 09:59:30 +02:00 |
|
|
8a8e4a939c
|
excitation energy
|
2019-04-01 16:32:55 +02:00 |
|
|
881220a97f
|
fix DIIS in GW
|
2019-04-01 15:53:39 +02:00 |
|
|
4c821fe4ac
|
cleanup
|
2019-03-19 10:13:33 +01:00 |
|