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6e3abd8927
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starting G0T0
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2019-10-16 18:14:47 +02:00 |
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bf1f8ba2ca
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new examples
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2019-10-06 22:37:51 +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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923d1a8bd6
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pp-RPA
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2019-10-05 23:09:20 +02:00 |
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55f7bffd76
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fix bug in evGW for BSE Ec
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2019-10-01 14:53:36 +02:00 |
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bf43db038e
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done
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2019-09-26 22:46:32 +02:00 |
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d9efdc53bf
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stupid big in qsGW BSE
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2019-09-26 21:36:46 +02:00 |
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bc834c0466
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scan diatomics
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2019-09-23 18:36:55 +02:00 |
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ff82232fe5
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fix bug in printing qsGW energy after BSE
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2019-09-23 13:31:01 +02:00 |
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6b052421a8
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script for scan
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2019-09-22 22:22:52 +02:00 |
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8dbd12ecac
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eta parameter
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2019-09-22 21:15:53 +02:00 |
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153fe069aa
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qsGW fix bug
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2019-09-21 08:53:29 +02:00 |
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b7475c58cf
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huckel guess
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2019-09-20 22:28:01 +02:00 |
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c477b848ac
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basis correction
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2019-07-09 16:17:10 +02:00 |
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ad3d77cda6
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adding files
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2019-05-07 22:57:57 +02:00 |
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31e3707ce6
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Sph
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2019-04-02 22:58:24 +02:00 |
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8ad895ad85
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cleanup excitation_energy
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2019-04-02 09:59:30 +02:00 |
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d27591b14c
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IntPak read geom fixed
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2019-03-31 22:28:04 +02:00 |
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599182f5e5
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UHF is working
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2019-03-19 11:21:34 +01:00 |
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00f6240697
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removing examples
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2019-03-19 10:19:41 +01:00 |
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5eea98a3fb
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removing examples
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2019-03-19 10:19:18 +01:00 |
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c61de6af00
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removing examples
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2019-03-19 10:18:03 +01:00 |
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