grid_dgemm_coefficients.h File Reference

#include <stdbool.h>
#include <string.h>
#include "../common/grid_common.h"
#include "grid_dgemm_utils.h"

Go to the source code of this file.

Functions
void	grid_prepare_alpha_dgemm (const double ra[3], const double rb[3], const double rp[3], const int *lmax, tensor *alpha)
void	grid_compute_coefficients_dgemm (const int *const lmin, const int *const lmax, const int lp, const double prefactor, const tensor *const alpha, const tensor *const pab, tensor *coef_xyz)
void	compute_compact_polynomial_coefficients (const tensor *coef, const int *coef_offset_, const int *lmin, const int *lmax, const double *ra, const double *rb, const double *rab, const double prefactor, tensor *co)
void	grid_transform_coef_xyz_to_ijk (const double dh[3][3], const tensor *coef_xyz)
void	grid_transform_coef_jik_to_yxz (const double dh[3][3], const tensor *coef_xyz)
void	transform_triangular_to_xyz (const double *const coef_xyz, tensor *const coef)
void	transform_xyz_to_triangular (const tensor *const coef, double *const coef_xyz)
void	transform_yxz_to_triangular (const tensor *const coef, double *const coef_xyz)
void	grid_transform_coef_ijk_to_xyz_cp2k (const int lp, const double dh[3][3], const double *__restrict coef_ijk, double *__restrict coef_xyz)
void	grid_compute_vab (const int *const lmin, const int *const lmax, const int lp, const double prefactor, const tensor *const alpha, const tensor *const coef_xyz, tensor *pab)

Function Documentation

grid_prepare_alpha_dgemm()

void grid_prepare_alpha_dgemm ( const double ra[3], const double rb[3], const double rp[3], const int * lmax, tensor * alpha )

extern

Definition at line 170 of file grid_dgemm_coefficients.c.

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grid_compute_coefficients_dgemm()

void grid_compute_coefficients_dgemm ( const int *const lmin, const int *const lmax, const int lp, const double prefactor, const tensor *const alpha, const tensor *const pab, tensor * coef_xyz )

extern

Definition at line 69 of file grid_dgemm_coefficients.c.

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compute_compact_polynomial_coefficients()

void compute_compact_polynomial_coefficients ( const tensor * coef, const int * coef_offset_, const int * lmin, const int * lmax, const double * ra, const double * rb, const double * rab, const double prefactor, tensor * co )

extern

grid_transform_coef_xyz_to_ijk()

void grid_transform_coef_xyz_to_ijk ( const double dh[3][3], const tensor * coef_xyz )

extern

grid_transform_coef_jik_to_yxz()

void grid_transform_coef_jik_to_yxz ( const double dh[3][3], const tensor * coef_xyz )

extern

Definition at line 302 of file grid_dgemm_coefficients.c.

transform_triangular_to_xyz()

void transform_triangular_to_xyz ( const double *const coef_xyz, tensor *const coef )

extern

Definition at line 48 of file grid_dgemm_coefficients.c.

transform_xyz_to_triangular()

void transform_xyz_to_triangular ( const tensor *const coef, double *const coef_xyz )

extern

Definition at line 17 of file grid_dgemm_coefficients.c.

transform_yxz_to_triangular()

void transform_yxz_to_triangular ( const tensor *const coef, double *const coef_xyz )

extern

Definition at line 33 of file grid_dgemm_coefficients.c.

grid_transform_coef_ijk_to_xyz_cp2k()

void grid_transform_coef_ijk_to_xyz_cp2k ( const int lp, const double dh[3][3], const double *__restrict coef_ijk, double *__restrict coef_xyz )

extern

grid_compute_vab()

void grid_compute_vab ( const int *const lmin, const int *const lmax, const int lp, const double prefactor, const tensor *const alpha, const tensor *const coef_xyz, tensor * pab )

extern

Definition at line 117 of file grid_dgemm_coefficients.c.

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