AngularMomentum |
This class is used to calculate angular momentum states.
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ClosedShellJob |
Calculates the orbitals and orbital energies of electron systems
with closed shells
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FourierGridBasis |
At this time this class does not work correcly.
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GaussiansBasis |
This class contains the information to use gauss function as a base
for calculation of quantum mechanics.
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OneElectronJob |
Calculates the orbitals and orbital energies of electron systems
without electron electron interactions
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Orbitals |
This class represents a set of orbitals
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SimpleBasisSet |
This class will generate a simple base set for a atom container.
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