Package org.openscience.cdk.math.qm
Class ClosedShellJob
java.lang.Object
org.openscience.cdk.math.qm.ClosedShellJob
Calculates the orbitals and orbital energies of electron systems
with closed shells
- Author:
- Stephan Michels <stephan@vern.chem.tu-berlin.de>
- Source code:
- main
- Belongs to CDK module:
- qm
- Created on:
- 2001-06-14
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Constructor Summary
Constructors -
Method Summary
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Constructor Details
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ClosedShellJob
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Method Details
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getEnergies
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calculate
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