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mirror of https://github.com/pfloos/quack synced 2024-12-23 12:55:25 +01:00
Commit Graph

81 Commits

Author SHA1 Message Date
22d83c824f new files 2020-01-17 15:31:38 +01:00
1d9eb104a6 clean up 2020-01-17 13:45:02 +01:00
e01a34d6ba RPAx AC vs Tr 2020-01-16 23:13:47 +01:00
8dfd69db80 exchange kernel 2020-01-16 21:39:00 +01:00
4607acc649 clean up 2020-01-15 22:29:43 +01:00
3246143355 Ec AC 2020-01-08 10:17:19 +01:00
72abe8a4f6 bug 2019-10-28 16:34:09 +01:00
8e07edaae0 G0T0 bug and clean up 2019-10-18 23:16:37 +02:00
6ca20e2ea3 T matrix *might* be working 2019-10-17 22:07:41 +02:00
6e3abd8927 starting G0T0 2019-10-16 18:14:47 +02:00
bf1f8ba2ca new examples 2019-10-06 22:37:51 +02:00
6ca04d4b44 pp-RPA 2019-10-06 20:08:38 +02:00
923d1a8bd6 pp-RPA 2019-10-05 23:09:20 +02:00
55f7bffd76 fix bug in evGW for BSE Ec 2019-10-01 14:53:36 +02:00
bf43db038e done 2019-09-26 22:46:32 +02:00
d9efdc53bf stupid big in qsGW BSE 2019-09-26 21:36:46 +02:00
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
c477b848ac basis correction 2019-07-09 16:17:10 +02:00
ad3d77cda6 adding files 2019-05-07 22:57:57 +02:00
31e3707ce6 Sph 2019-04-02 22:58:24 +02:00
8ad895ad85 cleanup excitation_energy 2019-04-02 09:59:30 +02:00
d27591b14c IntPak read geom fixed 2019-03-31 22:28:04 +02:00
599182f5e5 UHF is working 2019-03-19 11:21:34 +01:00
00f6240697 removing examples 2019-03-19 10:19:41 +01:00
5eea98a3fb removing examples 2019-03-19 10:19:18 +01:00
c61de6af00 removing examples 2019-03-19 10:18:03 +01:00