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GMSO uses sympy, a stable and popular symbolic math library, to parse analytical expressions of arbitrary functional forms (i.e. everything between non-LJ non-bonded terms or whatever wild torsion form you feel like drawing up). I think GMSO has worked well with it, but it is a fairly heavy dependency to pull in and it is worth looking into alternatives.
Functionality I think we care about
Parsing arbitrary analytical expressions into some useful internal representation
Comparing expressions and individual variables to ensure an expression is fully described with parameters
Equality-like comparisons between expressions for interfaces (see how it is done in GMSO here)
The text was updated successfully, but these errors were encountered:
GMSO uses
sympy
, a stable and popular symbolic math library, to parse analytical expressions of arbitrary functional forms (i.e. everything between non-LJ non-bonded terms or whatever wild torsion form you feel like drawing up). I think GMSO has worked well with it, but it is a fairly heavy dependency to pull in and it is worth looking into alternatives.Functionality I think we care about
The text was updated successfully, but these errors were encountered: