cloudlab-cmu / cloudcompchem

Cloud Comp Chem
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Source code for validation functions #6

Closed tommyh-ECL closed 6 months ago

tommyh-ECL commented 6 months ago

8 contains some validation for the input payload. It is admittedly fairly defensive, and may have some unhandled errors upon more rigorous testing, but it is a good start. Down the road we may want to be more proactive with the request input validation and only allow specific functionals, basis sets, multiplicities, and/or charges.