Class GaussianInputWriter

All Implemented Interfaces:
Closeable, AutoCloseable, IChemObjectIO, IChemObjectWriter

public class GaussianInputWriter extends DefaultChemObjectWriter
File writer thats generates input files for Gaussian calculation jobs. It was tested with Gaussian98.
Author:
Egon Willighagen <egonw@sci.kun.nl>
Source code:
main
Belongs to CDK module:
io
Keywords:
Gaussian (tm), input file
  • Constructor Details

    • GaussianInputWriter

      public GaussianInputWriter(Writer out)
      Constructs a new writer that produces input files to run a Gaussian QM job.
    • GaussianInputWriter

      public GaussianInputWriter(OutputStream output)
    • GaussianInputWriter

      public GaussianInputWriter()
  • Method Details