6 Commits

Author	SHA1	Message	Date
Pierre-Francois Loos	5df03b58ac	bug fix in qsUGW	2020-11-03 21:47:57 +01:00
Pierre-Francois Loos	fc4a062326	mix guess for UHF	2020-10-27 17:23:48 +01:00
Pierre-Francois Loos	ff5b9e4e09	clean up basis sets	2020-10-26 14:52:11 +01:00
Pierre-Francois Loos	2e6662056c	working on qsUGW	2020-10-21 12:09:18 +02:00
Pierre-Francois Loos	a5cf80f709	FC for MP3	2020-10-19 13:57:56 +02:00
Pierre-Francois Loos	cd4f187c9b	xyz files	2020-10-12 14:30:00 +02:00