From 8cff93a7693813d82321e2e91a771a5be665b5c1 Mon Sep 17 00:00:00 2001 From: Brad Crawford <65550266+bc118@users.noreply.github.com> Date: Tue, 16 Jul 2024 20:21:43 -0400 Subject: [PATCH] Update gmso_equation_compare.py --- mosdef_gomc/utils/gmso_equation_compare.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/mosdef_gomc/utils/gmso_equation_compare.py b/mosdef_gomc/utils/gmso_equation_compare.py index 1bd6c278..8b2495ca 100644 --- a/mosdef_gomc/utils/gmso_equation_compare.py +++ b/mosdef_gomc/utils/gmso_equation_compare.py @@ -9,8 +9,8 @@ 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