P3MaZe merges P3M electrostatics with MaZe constrained dynamics to solve the long-range Poisson equation via holonomic constraints on an auxiliary mesh field, matching reference methods on NaCl and SPC/Fw while using fewer multigrid iterations.
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P3MaZe: a Mass-Zero constrained-dynamics formulation of particle-mesh electrostatics
P3MaZe merges P3M electrostatics with MaZe constrained dynamics to solve the long-range Poisson equation via holonomic constraints on an auxiliary mesh field, matching reference methods on NaCl and SPC/Fw while using fewer multigrid iterations.