NLPP.h File Reference

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Functions
void	find_core_electrons_PBC (float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, float L[], float Linv[], int2 *pairs[], float *dist[], int numPairs[], int numWalkers)
void	find_core_electrons_PBC (double *R[], int numElec, double I[], int firstIon, int lastIon, double rcut, double L[], double Linv[], int2 *pairs[], double *dist[], int numPairs[], int numWalkers)
void	find_core_electrons_PBC (float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, float L[], float Linv[], float quadPoints[], int numQuadPoints, int *elecs[], float *ratioPos[], float *dist_list[], float *cosTheta_list[], int numPairs[], int numWalkers)
void	find_core_electrons_PBC (double *R[], int numElec, double I[], int firstIon, int lastIon, double rcut, double L[], double Linv[], double quadPoints[], int numQuadPoints, int *elecs[], double *ratioPos[], double *dist_list[], double *cosTheta_list[], int numPairs[], int numWalkers)
void	find_core_electrons (float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, int2 *pairs[], float *dist[], int numPairs[], int numWalkers)
void	find_core_electrons (double *R[], int numElec, double I[], int firstIon, int lastIon, double rcut, double L[], double Linv[], int2 *pairs[], double *dist[], int numPairs[], int numWalkers)
void	find_core_electrons (float *R[], int numElec, float I[], int firstIon, int lastIon, float rcut, float quadPoints[], int numQuadPoints, int *elecs[], float *ratioPos[], float *dist_list[], float *cosTheta_list[], int numPairs[], int numWalkers)
void	find_core_electrons (double *R[], int numElec, double I[], int firstIon, int lastIon, double rcut, double quadPoints[], int numQuadPoints, int *elecs[], double *ratioPos[], double *dist_list[], double *cosTheta_list[], int numPairs[], int numWalkers)

Function Documentation

find_core_electrons() [1/4]

void find_core_electrons	(	float *	R[],
		int	numElec,
		float	I[],
		int	firstIon,
		int	lastIon,
		float	rcut,
		int2 *	pairs[],
		float *	dist[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons() [2/4]

void find_core_electrons	(	double *	R[],
		int	numElec,
		double	I[],
		int	firstIon,
		int	lastIon,
		double	rcut,
		double	L[],
		double	Linv[],
		int2 *	pairs[],
		double *	dist[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons() [3/4]

void find_core_electrons	(	float *	R[],
		int	numElec,
		float	I[],
		int	firstIon,
		int	lastIon,
		float	rcut,
		float	quadPoints[],
		int	numQuadPoints,
		int *	elecs[],
		float *	ratioPos[],
		float *	dist_list[],
		float *	cosTheta_list[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons() [4/4]

void find_core_electrons	(	double *	R[],
		int	numElec,
		double	I[],
		int	firstIon,
		int	lastIon,
		double	rcut,
		double	quadPoints[],
		int	numQuadPoints,
		int *	elecs[],
		double *	ratioPos[],
		double *	dist_list[],
		double *	cosTheta_list[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons_PBC() [1/4]

void find_core_electrons_PBC	(	float *	R[],
		int	numElec,
		float	I[],
		int	firstIon,
		int	lastIon,
		float	rcut,
		float	L[],
		float	Linv[],
		int2 *	pairs[],
		float *	dist[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons_PBC() [2/4]

void find_core_electrons_PBC	(	double *	R[],
		int	numElec,
		double	I[],
		int	firstIon,
		int	lastIon,
		double	rcut,
		double	L[],
		double	Linv[],
		int2 *	pairs[],
		double *	dist[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons_PBC() [3/4]

void find_core_electrons_PBC	(	float *	R[],
		int	numElec,
		float	I[],
		int	firstIon,
		int	lastIon,
		float	rcut,
		float	L[],
		float	Linv[],
		float	quadPoints[],
		int	numQuadPoints,
		int *	elecs[],
		float *	ratioPos[],
		float *	dist_list[],
		float *	cosTheta_list[],
		int	numPairs[],
		int	numWalkers
	)

find_core_electrons_PBC() [4/4]

void find_core_electrons_PBC	(	double *	R[],
		int	numElec,
		double	I[],
		int	firstIon,
		int	lastIon,
		double	rcut,
		double	L[],
		double	Linv[],
		double	quadPoints[],
		int	numQuadPoints,
		int *	elecs[],
		double *	ratioPos[],
		double *	dist_list[],
		double *	cosTheta_list[],
		int	numPairs[],
		int	numWalkers
	)