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Functions
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 173 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 72 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 305 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 51 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 20 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 36 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 120 of file grid_dgemm_coefficients.c.

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