Describe the bug
xTB doesn't recognize vtight as an option for the xTB, even though its listed as an option in the documentation. It actually accepts verytight. Some other keywords accept both variations of this string to mean the very tight option, while gbsa only accepts the specific form
To Reproduce
Run xTB with implicit solvent and an input containing
it should only use the default 230 points per atom.
Expected behaviour
Runs with tighter Lebedev grid (2030 points per atom).
Describe the bug
xTB doesn't recognize
vtightas an option for the xTB, even though its listed as an option in the documentation. It actually acceptsverytight. Some other keywords accept both variations of this string to mean the very tight option, while gbsa only accepts the specific formTo Reproduce
Run xTB with implicit solvent and an input containing
it should only use the default 230 points per atom.
Expected behaviour
Runs with tighter Lebedev grid (2030 points per atom).