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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
-- CalculationMode
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OCTMomentumDerivatives
OCTMomentumDerivatives
Section Calculation Modes::Optimal Control
Type block
This block should contain the derivatives of the expression given in
OCTClassicalTarget with respect to the p array components.
Each line corresponds to a different classical particle, whereas the
columns correspond to each spatial dimension: the (i,j) block component
corresponds with the derivative wrt p[i,j].