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Update gmso_equation_compare.py
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bc118 authored Jul 17, 2024
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4 changes: 2 additions & 2 deletions mosdef_gomc/utils/gmso_equation_compare.py
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import unyt as u

# Although,'symengine.sympify' from 'import symengine ' is faster, it was changed to 'sympy.nsimplify' for some
# with the 0.5 decimals in it like as it changes
# improves the solving of the code by also solving 0.5 or other non-integers with integers.
# less simple equations with the 0.5 decimals in it (example OPLS dihedral). This was the only was to improve
# or actually solve for the scalers in the equations when using non-integers in the forms like the OPLS dihedral.


# compare Lennard-Jones (LJ) non-bonded equations
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