Package org.jmol.api

Examples of org.jmol.api.MOCalculationInterface

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    params.title[iLine] = (!isOptional ? line : rep > 0 && !line.trim().endsWith("=") ? line.substring(1) : "");
  }
 
  protected void generateCube() {
    volumeData.voxelData = voxelData = new float[nPointsX][nPointsY][nPointsZ];
    MOCalculationInterface q = (MOCalculationInterface) Interface.getOptionInterface("quantum.MOCalculation");
    Hashtable moData = params.moData;
    float[] coef = params.moCoefficients;
    int[][] dfCoefMaps = params.dfCoefMaps;

    if (coef == null) {
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Related Classes of org.jmol.api.MOCalculationInterface

  • org.jmol.jvxl.readers.IsoMOReader
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