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Do we need to limit the equations/variable name or do we have a good method of comparing the LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions between different FF/xml files?
For example:
limit the variable name to ep and/or epsilon only and not accept eplis ... as a variable name?
Do we want to build functions for comparing in gmso, as many writers may use them, or do we want every engine to do their own way?
Other fancy/better ways to do this?
The text was updated successfully, but these errors were encountered:
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Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions
Limiting, comparing LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions?
Aug 12, 2021
I may have missed this if it already exists.
Do we need to limit the equations/variable name or do we have a good method of comparing the LJ/Mie/Exp6, electrostatic, bond, angle, dihedral, and improper expressions between different FF/xml files?
For example:
The text was updated successfully, but these errors were encountered: