Dielectric response with short-ranged electrostatics (data set)
Repository URI
Repository DOI
Change log
Authors
Description
See README file for a detailed description of this dataset. This directory contains the LAMMPS input files, both with Ewald sums and LMFT. There are two subdirectories: 'BulkResponse' – Simulations of bulk liquid water; 'Slab' – Simulations for water confined between hydrophobic walls.
Version
Software / Usage instructions
LAMMPS (https://lammps.sandia.gov)
See also:
https://github.com/uccasco/LMFT
https://github.com/uccasco/FiniteFields
Keywords
statistical mechanics, dielectrics, polar fluids, local molecular field theory
Publisher
Sponsorship
Royal Commission for the Exhibition of 1851