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Commit Graph

11 Commits

Author SHA1 Message Date
1e40552708 Cleaning 2017-09-14 11:36:27 +02:00
788b6cfe49 Fixed Huckel guess 2017-09-13 10:04:35 +02:00
eed7cc8c14 Fixed 2017-09-13 09:06:32 +02:00
4e894dc393 Removed align 2017-06-27 20:41:54 +02:00
e15fbd2371 Almost working 2017-06-02 14:56:34 +02:00
53ba951186 Added canonical orthogonalization and accelerated Tasks 2015-12-09 18:53:38 +01:00
61bcd8c103 Eigenvalues are now printed with the correct sign 2015-11-26 15:00:02 +01:00
1363b436e3 Accelerated pseudopotentials 2015-10-16 14:33:57 +02:00
f04e6619a5 Memory allocation bug in Huckel guess corrected 2015-09-22 13:35:42 +02:00
Thomas Applencourt
63055bbbce Beter doc 2015-07-06 14:18:11 +02:00
Thomas Applencourt
6a91e63cf3 Move into plugins 2015-06-17 18:23:56 +02:00