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[pre-commit.ci] auto fixes from pre-commit.com hooks
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pre-commit-ci[bot] committed Sep 30, 2024
1 parent 86b6d06 commit 2f7657e
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions gmso/formats/prm_writer.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,7 +20,7 @@ def _accepted_potentials():
"""List of accepted potentials that LAMMPS can support."""
templates = PotentialTemplateLibrary()
lennard_jones_potential = templates["LennardJonesPotential"]
lennard_jones_potential.expression /= 4 # no 4*epsilon term
lennard_jones_potential.expression /= 4 # no 4*epsilon term
harmonic_bond_potential = templates["LAMMPSHarmonicBondPotential"]
harmonic_angle_potential = templates["LAMMPSHarmonicAnglePotential"]
ub_angle_potential = templates["UreyBradleyAnglePotential"]
Expand Down Expand Up @@ -60,7 +60,7 @@ def write_prm(topology, filename, strict_potentials=False):
"dihedrals": ["PeriodicTorsionPotential"],
"angles": ["LAMMPSHarmonicAnglePotential", "UreyBradleyAnglePotential"],
"bonds": ["LAMMPSHarmonicBondPotential"],
"sites":["LennardJonesPotential"],
"sites": ["LennardJonesPotential"],
# "sites":"CoulombicPotential"
}
_try_default_potential_conversions(topology, default_parameterMaps)
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