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\(drf90\)

classical-only part of the Direct (or Discrete) Reaction Field (DRF) approach
Current version: 2012.01 (shared with CC-BY-NC license). See also all python tools and the drf90 pages.

Get solvent parameters

Here you can specify the mass/density of solvents/solutes, and then either:
 
Solute Name:
Solute Mass (amu):
Solute Density (kg/l):
Number of solutes:
 
Solvent Name:
Solvent Mass (amu):
Solvent Density (kg/l):
Number of solvents:
 
Box type:
Input Box size (Bohr):
Output Box size (Bohr):
Output number of solvents:
 
 
Last update of document: March 3, 2024
Comments: M. Swart