gmso
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Atomtypes parameters needs some Unit love
For our charges, etc. in an atomtype, we do not support setting the mass
, charge
, etc of an atomtype on an atomtype
by atomtype
basis. We support setting these in the upper level ffmetadata , but not past that.
So in the case that the ParamUnitsDef
is a dimension, we should check this dict first:
https://github.com/mosdef-hub/gmso/blob/master/gmso/utils/ff_utils.py#L105
Otherwise, the ParamUnitsDef
should be parsed by Unyt as it is now.
I think this issue warrants longer discussion at some point - we have been extremely careful with unit handling in any Potential
class, but not as careful with attributes of other classes that have important physical meaning.