9 Commits

Author	SHA1	Message	Date
Anthony Scemama	614cf3b318	Fixed NaN bug in DIIS	2020-08-31 11:37:00 +02:00
Anthony Scemama	811cdf86a6	updated tests	2020-05-26 11:00:35 +02:00
Anthony Scemama	465737c85a	DIIS stability	2020-05-25 23:34:51 +02:00
Anthony Scemama	a460863632	DIIS stability	2020-05-25 23:32:23 +02:00
Anthony Scemama	5803482a60	Fixed NaN in SCF	2020-05-25 23:27:38 +02:00
Anthony Scemama	a90b446beb	Fixed floating-point exceptions	2020-05-25 19:22:10 +02:00
Anthony Scemama	2d81db3911	More stable SCF	2020-03-06 13:55:37 +01:00
Anthony Scemama	f4bff28cd1	Warnings in documentation	2019-01-29 17:09:08 +01:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00