changed input file to gaussian so wont run into troubles where HF doesnt converege
change to fit and analyze no env data
Merge branch 'master' of https://github.com/MatteusT/msqc.git

Conflicts:
	contextFactory.m
Merge branch 'master' of https://github.com/MatteusT/msqc.git
generate ethane with a torsional change!
Merge branch 'master' of https://github.com/MatteusT/msqc.git

Conflicts:
	contextFactory.m
t-butane data generating
Merge branch 'master' of https://github.com/MatteusT/msqc.git

Conflicts:
	ch4r-data.m
	contextFactory.m
Merge branch 'master' of https://github.com/MatteusT/msqc.git

Conflicts:
	contextFactory.m
generating butaner and propaner data
Merge branch 'master' of https://github.com/MatteusT/msqc.git
added the new hybrid model that did not work out that well. Still need to figure out what to do