PFMD is a program that simulates the liquid state of a polarizable fluid by means of a dissociable potential applied in a Molecular Dynamics algorithm. Currently supported molecules are water (H2O) and MX3, where M is a metal chosen among Al, Fe, or Ga and X is a halogen among Cl, Br, or I.
|Operating Systems||OS Independent|
Release Notes: A major bug in the dipoles matrix regarding salts only has been fixed. Starting positions in bulk configurations of salts have been fixed. Command line reading of 'logical' (+/-) options has been fixed.
Release Notes: A "Cluster Edition" mode was added, which disables Ewald sums and periodic boundary conditions. This is useful to double-check results with clusters of atoms, where long range interactions are negligible.
No changes have been submitted for this release.