org.jmol.adapter.readers.more
public abstract class GamessReader extends AtomSetCollectionReader
Field Summary | |
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protected int | atomCount |
protected Vector | atomNames |
protected String | calculationType |
protected int | gaussianCount |
protected Hashtable | moData |
protected Vector | orbitals |
protected int | shellCount |
Method Summary | |
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protected static String | fixBasisLine(String line) |
protected abstract String | fixShellTag(String tag) |
protected abstract void | getMOHeader(String[] tokens, Hashtable[] mos, int nThisLine) |
protected abstract void | readAtomsInBohrCoordinates() |
abstract AtomSetCollection | readAtomSetCollection(BufferedReader reader) |
void | readComponents(int count, float[] components) |
protected void | readFrequencies() |
protected void | readGaussianBasis(String initiator, String terminator) |
protected void | readMolecularOrbitals() |