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Commit Graph

9 Commits

Author SHA1 Message Date
e793ceaeca BCCD start 2021-01-05 15:51:52 +01:00
e0a28f71bd print qsUGW 2020-12-10 09:19:58 +01:00
5b4dd9982c fix bug in pCC 2020-11-05 15:51:33 +01:00
5df03b58ac bug fix in qsUGW 2020-11-03 21:47:57 +01:00
fc4a062326 mix guess for UHF 2020-10-27 17:23:48 +01:00
ff5b9e4e09 clean up basis sets 2020-10-26 14:52:11 +01:00
2e6662056c working on qsUGW 2020-10-21 12:09:18 +02:00
a5cf80f709 FC for MP3 2020-10-19 13:57:56 +02:00
cd4f187c9b xyz files 2020-10-12 14:30:00 +02:00