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MiniMol is a minimal molecular dynamics and statics program provided with the book “Modeling Materials: Continuum, Atomistic and Multiscale Techniques” by Ellad B. Tadmor and Ronald E. Miller, Cambridge University Press, 2011.
MiniMol has the following capabilities:
(1) Constant energy molecular dynamics.
(2) Constant temperature molecular dynamics with one of the following: velocity rescaling, Nose-Hoover thermostat or Langevin thermostat.
(3) Energy minimization of static configurations (“Molecular Statics”) using a conjugate gradient algorithm.
(4) Periodic boundary conditions for an orthogonal periodic box using the minimum image convention.
(6) MiniMol includes a tool for generating initial atomic configurations for the generation of single crystals.
(7) MiniMol has a simple molecular viewer built into its GUI.