Deprotonation runtype in input file

[cfarm6]

Is your feature request related to a problem? Please describe.
The protonation workflow is accessible via the input file syntax. It would be beneficial to have the deprotonation workflow also available as a runtype in the input file.

Describe the solution you'd like
I would like to see an option for setting the runtype as "deprotonate" in the input file syntax.

Describe workarounds you've considered
It is possible to use the cli however for a unified approach to developing computations with crest, having it available as a runtype would be advantageous.

[pprcht]

Yes, done: #379

Please note the TOML input activates the revised implementation of protonate/deprotonate/tautomerize that uses the tblite calculator rather than the xtb binary. This is equivalent to adding -newversion in the cli handling. The default will be switched to that version in 3.1.