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fluid-mixing-functional

Syntax:

fluid-mixing-functional <fluid1> <fluid2> <energyScale> [<lengthScale>] [<FMixType>=LJPotential]

Description:

Couple named fluids <fluid1> and <fluid2> which could each be one of:

  • CCl4
  • CH3CN
  • CHCl3
  • Cl-
  • ClO4-
  • CustomAnion
  • CustomCation
  • F-
  • H2O
  • Na(H2O)4+
  • Na+

together with a mixing functional of type:

  • GaussianKernel
  • LJPotential

with strength <energyScale> (in Eh) and range parameter <lengthScale> (in bohrs).

Properties:

Requires:     fluid-solvent

Forbids:     (None)

Allow multiple:    yes

Default:     (None)

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