Class VaspOutcarReader

java.lang.Object
org.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.xtal.VaspOutcarReader
All Implemented Interfaces:
javajs.api.GenericLineReader

public class VaspOutcarReader extends AtomSetCollectionReader
http://cms.mpi.univie.ac.at/vasp/
Version:
1.0
Author:
Pieremanuele Canepa, Room 104, FM Group School of Physical Sciences, Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH United Kingdom, pc229@kent.ac.uk
  • Field Details

    • atomNames

      private String[] atomNames
    • ac

      private int ac
    • inputOnly

      private boolean inputOnly
    • mDsimulation

      private boolean mDsimulation
    • vaspVersion

      private int vaspVersion
    • elementNames

      private javajs.util.Lst<String> elementNames
    • gibbsEnergy

      private Double gibbsEnergy
    • gibbsEntropy

      private Double gibbsEntropy
    • electronEne

      private Double electronEne
    • kinEne

      private Double kinEne
    • totEne

      private Double totEne
    • temp

      private float temp
  • Constructor Details

    • VaspOutcarReader

      public VaspOutcarReader()
  • Method Details