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150b669953
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check BSE
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2020-03-13 09:49:08 +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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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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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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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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22d83c824f
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new files
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2020-01-17 15:31:38 +01:00 |
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1d9eb104a6
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clean up
|
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
|
exchange kernel
|
2020-01-16 21:39:00 +01:00 |
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4607acc649
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clean up
|
2020-01-15 22:29:43 +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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72abe8a4f6
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bug
|
2019-10-28 16:34:09 +01:00 |
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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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6e3abd8927
|
starting G0T0
|
2019-10-16 18:14:47 +02:00 |
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bf1f8ba2ca
|
new examples
|
2019-10-06 22:37:51 +02:00 |
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6ca04d4b44
|
pp-RPA
|
2019-10-06 20:08:38 +02:00 |
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|
923d1a8bd6
|
pp-RPA
|
2019-10-05 23:09:20 +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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bf43db038e
|
done
|
2019-09-26 22:46:32 +02:00 |
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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 |
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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 |
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|
|
8dbd12ecac
|
eta parameter
|
2019-09-22 21:15:53 +02:00 |
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153fe069aa
|
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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ad3d77cda6
|
adding files
|
2019-05-07 22:57:57 +02:00 |
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|
31e3707ce6
|
Sph
|
2019-04-02 22:58:24 +02:00 |
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|
8ad895ad85
|
cleanup excitation_energy
|
2019-04-02 09:59:30 +02:00 |
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|
|
d27591b14c
|
IntPak read geom fixed
|
2019-03-31 22:28:04 +02:00 |
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|
|
599182f5e5
|
UHF is working
|
2019-03-19 11:21:34 +01:00 |
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|
|
00f6240697
|
removing examples
|
2019-03-19 10:19:41 +01:00 |
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|
|
5eea98a3fb
|
removing examples
|
2019-03-19 10:19:18 +01:00 |
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|
|
c61de6af00
|
removing examples
|
2019-03-19 10:18:03 +01:00 |
|
