6 Commits

Author	SHA1	Message	Date
Mickaël Véril	baca7f5d96	Update data except QUEST#2	2021-11-03 13:29:12 +01:00
Mickaël Véril	1f62b3f740	Update and fix QUEST#5 data	2020-11-04 15:42:53 +01:00
Mickaël Véril	d10b6d3b05	Fix %T_1 missing on TBE for octatetraene	2020-11-03 16:36:32 +01:00
Mickaël Véril	221c4bf70e	Add geometry and xyz for octatetraene	2020-10-27 09:18:43 +01:00
Mickaël Véril	564fec1398	Fix initial state for octatetraene	2020-10-27 09:06:04 +01:00
Mickaël Véril	6647785d34	Denis new data	2020-10-24 17:29:27 +02:00