tdhf_dynamics.h File Reference

#include "basisinfo.h"
#include "matrix_typedefs.h"
#include "scf.h"

Go to the source code of this file.

Functions
void	do_tdhf_dynamics (const BasisInfoStruct &basisInfo, const IntegralInfo &integralInfo, const Molecule &molecule, const Molecule &extraCharges, const SCF::MatOptions &matOpts, const JK::ExchWeights &CAM_params, const JK::Params &J_K_params, const symmMatrix &FockMatrix, const symmMatrix &densityMatrix, const symmMatrix &S_symm, const triangMatrix &invCholFactor)

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Function Documentation

void do_tdhf_dynamics	(	const BasisInfoStruct &	basisInfo,
		const IntegralInfo &	integralInfo,
		const Molecule &	molecule,
		const Molecule &	extraCharges,
		const SCF::MatOptions &	matOpts,
		const JK::ExchWeights &	CAM_params,
		const JK::Params &	J_K_params,
		const symmMatrix &	FockMatrix,
		const symmMatrix &	densityMatrix,
		const symmMatrix &	S_symm,
		const triangMatrix &	invCholFactor
	)

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