6 Commits

Author	SHA1	Message	Date
Mickaël Véril	3d07f90f3a	using cis to solve scf problem	2020-11-10 10:07:46 +01:00
2487	65afc9a022	new script	2020-11-10 09:56:49 +01:00
Mickaël Véril	29011357cb	Update outputs	2020-11-10 09:34:31 +01:00
Mickaël Véril	4a439546c5	update output and new calculation pyridine and pyrimidine	2020-11-08 12:08:44 +01:00
Mickaël Véril	4aeba658f6	Update output files	2020-11-05 11:14:40 +01:00
Mickaël Véril	af0fd6848a	Add pyrazine	2020-11-03 14:19:53 +01:00