Coulomb Electrostatics

  • coulomb_cutoff (float, default: 10.0) is the cutoff for coulombic calculations.
  • coulomb_dielectric (float, default: 2.0) is the dielectric for coulombic calculations.
  • coulomb_units_factor (float, default: 557.0) is the conversion factor to give output units (kT/e).
 
setting/coulomb.txt
 
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