8 Commits

Author	SHA1	Message	Date
Anthony Scemama	92ac2d2eea	Reset Huckel guess	2020-12-08 23:18:47 +01:00
Anthony Scemama	e767d52725	Avoid possible divisions by zero	2020-12-08 22:33:52 +01:00
Anthony Scemama	008d1b9e8f	Improved huckel guess	2020-12-08 20:37:20 +01:00
Anthony Scemama	7c100a1a2d	Symmetry	2020-11-11 15:51:19 +01:00
Anthony Scemama	6b2020d40d	Orthogonalize MOs	2020-11-11 10:26:36 +01:00
Anthony Scemama	6c930b70f5	Added restoration of symmetry	2020-11-11 01:12:52 +01:00
Anthony Scemama	75891f14b7	Linear dependencies cutoff	2020-05-25 11:31:28 +02:00
Anthony Scemama	24d9745056	Initial commit	2019-01-25 11:39:31 +01:00