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The Anisotropic Force-Matching Coarse-Graining data files

software
posted on 2025-03-18, 02:07 authored by Thi Lan Huong NguyenThi Lan Huong Nguyen

This depository contains atomistic and coarse-grained simulations of benzene and perylene:

  • atomistic-simulations: contains atomistic simulations carried out in LAMMPS
  • coarse-grained-simulations: contains coarse-grained simulations carried out in LAMMPS, using a modified S-function pair potential to describe non-bonded interaction between particles
  • data: ARDF, RDF and density analysis
  • LAMMPS-pair: LAMMPS code for pair modified S-function potential interaction

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