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java.lang.Objectorg.jmol.adapter.smarter.AtomSetCollectionReader
org.jmol.adapter.readers.more.AimsReader
public class AimsReader
FHI-AIMS (http://www.fhi-berlin.mpg.de/aims) geometry.in file format samples of relevant lines in geometry.in file are included as comments below
Field Summary |
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Fields inherited from class org.jmol.adapter.smarter.AtomSetCollectionReader |
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ANGSTROMS_PER_BOHR, applySymmetryToBonds, atomSetCollection, bsFilter, bsModels, calculationType, doApplySymmetry, filter, getHeader, haveAtomFilter, havePartialChargeFilter, htParams, ignoreFileSymmetryOperators, ignoreFileUnitCell, iHaveSymmetryOperators, iHaveUnitCell, isTrajectory, latticeCells, line, modelNumber, needToApplySymmetry, next, prevline, reader, readerName, spaceGroup, templateAtomCount |
Constructor Summary | |
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AimsReader()
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Method Summary | |
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void |
readAtomSetCollection(java.io.BufferedReader br)
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(package private) void |
setUnitCellFromLatticeVectors(javax.vecmath.Vector3f[] lv)
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Methods inherited from class java.lang.Object |
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clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait |
Constructor Detail |
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public AimsReader()
Method Detail |
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public void readAtomSetCollection(java.io.BufferedReader br)
readAtomSetCollection
in class AtomSetCollectionReader
void setUnitCellFromLatticeVectors(javax.vecmath.Vector3f[] lv)
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