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--
Casida
--- CasidaCalcForces
--- CasidaCalcForcesKernel
--- CasidaCalcForcesSCF
--- CasidaCalcTriplet
--- CasidaDistributedMatrix
--- CasidaHermitianConjugate
--- CasidaKohnShamStates
--- CasidaKSEnergyWindow
--- CasidaMomentumTransfer
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--- CasidaPrintExcitations
--- CasidaQuadratureOrder
--- CasidaTheoryLevel
--- CasidaTransitionDensities
--- CasidaWeightThreshold
--- CasidaWriteDistributedMatrix
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CasidaCalcForcesSCF
CasidaCalcForcesSCF
Section Linear Response::Casida
Type logical
Default false
If true, the ground-state forces will be included in the excited-state forces, so they are total forces.
If false, the excited-state forces that are produced are only the gradients of the excitation energy.
Source information
main/casida.F90 : 603
call parse_variable ( sys % namespace , 'CasidaCalcForcesSCF' , . false ., cas % calc_forces_scf )