Class pmr.chemime.GAMESS
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Class pmr.chemime.GAMESS
java.lang.Object
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+----java.awt.Component
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+----java.awt.Container
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+----java.awt.Panel
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+----java.applet.Applet
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+----pmr.simplegraph.SimpleApplet
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+----pmr.sgml.SGMLApplet
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+----pmr.sgml.SGMLTree
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+----pmr.cml.CMLTree
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+----pmr.chemime.ChemTree
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+----pmr.chemime.GAMESS
- public class GAMESS
- extends ChemTree
class to read (? and write?) GAMESS (US) files
NOT COMPLETE
- Author:
- (C) P. Murray-Rust, 1996
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GAMESS(String, StringList)
- form a GAMESS object from a local file
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main(String[])
- this is only run when an application.
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process()
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readDATA()
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readGRAD()
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readHESS()
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readVEC()
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readVIB()
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readZMAT()
-
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showHelp()
- display help
GAMESS
public GAMESS(String filename,
StringList lines) throws BadFileException
- form a GAMESS object from a local file
- Parameters:
- filename - name of file to read from (or title if lines != null)
- lines - if lines != null, use this as file content instead of filename
- Throws: BadFileException
- file was not a standard GAMESS file
showHelp
public void showHelp()
- display help
- Overrides:
- showHelp in class ChemTree
process
protected void process() throws BadFileException
readDATA
public void readDATA()
readZMAT
public void readZMAT()
readVEC
public void readVEC()
readGRAD
public void readGRAD()
readHESS
public void readHESS()
readVIB
public void readVIB()
main
public static void main(String args[])
- this is only run when an application.
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