Sandia National Laboratories Tramonto

Dimension Control Parameters

These parameters defines what kind of dimensions will be set in the input file. Note that if these values are set to any negative number, it is assumed that the input is all provided in dimensionless parameters. Otherwise the values entered here are used to reduce all other parameters provided.

  • Length_ref(real): Typically will be -1.0 or the characteristic size(diameter) of one of the fluid species in the problem. If Length_ref>0, then other distance variables (e.g. Size_x) are reduced via Length/Length_ref.
  • Density_ref(real): Typically will be -1 or the conversion from density units in the input file to rho*sigma^3 units. If Density_ref>0, the input densities (e.g. Rho_b) are reduced via density/Density_ref.
  • Temp(real): Must be either -1 or the temperature in K. If Temp>0 then energy parameters (e.g. Eps_ff) must be provided as E/k(units of Kelvin) where where k is the Boltzmann constant.
  • Dielec_ref(real): Typically will be -1 (sets a default value of Dielec.const of 78.5) or may be entered manually here.
  • VEXT_MAX(real): always >0 and entered in kT units. This is the maximum external field where DFT equations will be solved. if Vext>VEXT_MAX then the fluid density is set strictly to zero. Note density is proportional to the exp(-Vext/kT) so large Vext results in very small densities.