7 Commits

Author	SHA1	Message	Date
Mickaël Véril	3d26ffeba9	Fix initial state for hydrogen chloride	2020-06-05 16:12:09 +02:00
Mickaël Véril	0aa6067c64	Fix hydrogen chloride initial state	2020-05-27 17:31:06 +02:00
Mickaël Véril	caf0ef124f	Fix first symmetry alignment	2020-03-27 14:35:01 +01:00
Mickaël Véril	a2f04156a3	Add code for new CC3 files	2020-01-29 17:20:34 +01:00
Mickaël Véril	f051f48b42	Add geometry for new files	2020-01-29 17:20:34 +01:00
Mickaël Véril	b29ce581d2	Add DOI to new datas	2020-01-29 17:20:34 +01:00
Mickaël Véril	1e6248812c	Fix Full FC in basis	2020-01-29 17:20:34 +01:00