ComputeLonepairsCUDAKernel.h File Reference

#include "ComputeLonepairsCUDA.h"

Go to the source code of this file.

Functions
void	repositionRelative (double *d_pos_x, double *d_pos_y, double *d_pos_z, const ComputeLonepairsCUDA::LonepairRelative *d_lprelative_list, size_t lprelative_list_size, cudaStream_t stream)
void	repositionBisector (double *d_pos_x, double *d_pos_y, double *d_pos_z, const ComputeLonepairsCUDA::LonepairBisector *d_lpbisector_list, size_t lpbisector_list_size, cudaStream_t stream)
void	repositionColinear (double *d_pos_x, double *d_pos_y, double *d_pos_z, const ComputeLonepairsCUDA::LonepairColinear *d_lpcolinear_list, size_t lpcolinear_list_size, cudaStream_t stream)
void	redistributeForceRelative (double *d_f_normal_x, double *d_f_normal_y, double *d_f_normal_z, double *d_f_nbond_x, double *d_f_nbond_y, double *d_f_nbond_z, double *d_f_slow_x, double *d_f_slow_y, double *d_f_slow_z, cudaTensor *d_virial_normal, cudaTensor *d_virial_nbond, cudaTensor *d_virial_slow, const double *d_pos_x, const double *d_pos_y, const double *d_pos_z, const int maxForceNumber, const int doVirial, const ComputeLonepairsCUDA::LonepairRelative *d_lprelative_list, size_t lprelative_list_size, cudaStream_t stream)
void	redistributeForceBisector (double *d_f_normal_x, double *d_f_normal_y, double *d_f_normal_z, double *d_f_nbond_x, double *d_f_nbond_y, double *d_f_nbond_z, double *d_f_slow_x, double *d_f_slow_y, double *d_f_slow_z, cudaTensor *d_virial_normal, cudaTensor *d_virial_nbond, cudaTensor *d_virial_slow, const double *d_pos_x, const double *d_pos_y, const double *d_pos_z, const int maxForceNumber, const int doVirial, const ComputeLonepairsCUDA::LonepairBisector *d_lpbisector_list, size_t lpbisector_list_size, cudaStream_t stream)
void	redistributeForceColinear (double *d_f_normal_x, double *d_f_normal_y, double *d_f_normal_z, double *d_f_nbond_x, double *d_f_nbond_y, double *d_f_nbond_z, double *d_f_slow_x, double *d_f_slow_y, double *d_f_slow_z, cudaTensor *d_virial_normal, cudaTensor *d_virial_nbond, cudaTensor *d_virial_slow, const double *d_pos_x, const double *d_pos_y, const double *d_pos_z, const int maxForceNumber, const int doVirial, const ComputeLonepairsCUDA::LonepairColinear *d_lpcolinear_list, size_t lpcolinear_list_size, cudaStream_t stream)

Function Documentation

redistributeForceBisector()

void redistributeForceBisector	(	double *	d_f_normal_x,
		double *	d_f_normal_y,
		double *	d_f_normal_z,
		double *	d_f_nbond_x,
		double *	d_f_nbond_y,
		double *	d_f_nbond_z,
		double *	d_f_slow_x,
		double *	d_f_slow_y,
		double *	d_f_slow_z,
		cudaTensor *	d_virial_normal,
		cudaTensor *	d_virial_nbond,
		cudaTensor *	d_virial_slow,
		const double *	d_pos_x,
		const double *	d_pos_y,
		const double *	d_pos_z,
		const int	maxForceNumber,
		const int	doVirial,
		const ComputeLonepairsCUDA::LonepairBisector *	d_lpbisector_list,
		size_t	lpbisector_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::redistributeForce().

redistributeForceColinear()

void redistributeForceColinear	(	double *	d_f_normal_x,
		double *	d_f_normal_y,
		double *	d_f_normal_z,
		double *	d_f_nbond_x,
		double *	d_f_nbond_y,
		double *	d_f_nbond_z,
		double *	d_f_slow_x,
		double *	d_f_slow_y,
		double *	d_f_slow_z,
		cudaTensor *	d_virial_normal,
		cudaTensor *	d_virial_nbond,
		cudaTensor *	d_virial_slow,
		const double *	d_pos_x,
		const double *	d_pos_y,
		const double *	d_pos_z,
		const int	maxForceNumber,
		const int	doVirial,
		const ComputeLonepairsCUDA::LonepairColinear *	d_lpcolinear_list,
		size_t	lpcolinear_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::redistributeForce().

redistributeForceRelative()

void redistributeForceRelative	(	double *	d_f_normal_x,
		double *	d_f_normal_y,
		double *	d_f_normal_z,
		double *	d_f_nbond_x,
		double *	d_f_nbond_y,
		double *	d_f_nbond_z,
		double *	d_f_slow_x,
		double *	d_f_slow_y,
		double *	d_f_slow_z,
		cudaTensor *	d_virial_normal,
		cudaTensor *	d_virial_nbond,
		cudaTensor *	d_virial_slow,
		const double *	d_pos_x,
		const double *	d_pos_y,
		const double *	d_pos_z,
		const int	maxForceNumber,
		const int	doVirial,
		const ComputeLonepairsCUDA::LonepairRelative *	d_lprelative_list,
		size_t	lprelative_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::redistributeForce().

repositionBisector()

void repositionBisector	(	double *	d_pos_x,
		double *	d_pos_y,
		double *	d_pos_z,
		const ComputeLonepairsCUDA::LonepairBisector *	d_lpbisector_list,
		size_t	lpbisector_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::reposition().

repositionColinear()

void repositionColinear	(	double *	d_pos_x,
		double *	d_pos_y,
		double *	d_pos_z,
		const ComputeLonepairsCUDA::LonepairColinear *	d_lpcolinear_list,
		size_t	lpcolinear_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::reposition().

repositionRelative()

void repositionRelative	(	double *	d_pos_x,
		double *	d_pos_y,
		double *	d_pos_z,
		const ComputeLonepairsCUDA::LonepairRelative *	d_lprelative_list,
		size_t	lprelative_list_size,
		cudaStream_t	stream
	)

Referenced by ComputeLonepairsCUDA::reposition().