Navigation :
Manual
Input Variables
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Atomic Orbitals
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Calculation Modes
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Geometry Optimization
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Invert KS
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Optimal Control
--- OCTCheckGradient
--- OCTClassicalTarget
--- OCTControlFunctionOmegaMax
--- OCTControlFunctionRepresentation
--- OCTControlFunctionType
--- OCTCurrentFunctional
--- OCTCurrentWeight
--- OCTDelta
--- OCTDirectStep
--- OCTDoubleCheck
--- OCTDumpIntermediate
--- OCTEps
--- OCTEta
--- OCTExcludedStates
--- OCTFilter
--- OCTFixFluenceTo
--- OCTFixInitialFluence
--- OCTHarmonicWeight
--- OCTInitialState
--- OCTInitialTransformStates
--- OCTInitialUserdefined
--- OCTLaserEnvelope
--- OCTLocalTarget
--- OCTMaxIter
--- OCTMomentumDerivatives
--- OCTNumberCheckPoints
--- OCTOptimizeHarmonicSpectrum
--- OCTPenalty
--- OCTPositionDerivatives
--- OCTRandomInitialGuess
--- OCTScheme
--- OCTSpatialCurrWeight
--- OCTStartIterCurrTg
--- OCTTargetDensity
--- OCTTargetDensityFromState
--- OCTTargetOperator
--- OCTTargetSpin
--- OCTTargetTransformStates
--- OCTTargetUserdefined
--- OCTTdTarget
--- OCTVelocityDerivatives
--- OCTVelocityTarget
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Test
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Unoccupied States
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OCTTargetTransformStates
Section Calculation Modes::Optimal Control Type blockDefault noOCTTargetOperator = oct_tg_gstransformation , you must specify a
OCTTargetTransformStates block, in order to specify which linear
combination of the states present in restart/gs is used to
create the target state.
The syntax is the same as the TransformStates block.