7 #ifndef PME_REAL_SPACE_H__ 8 #define PME_REAL_SPACE_H__ 22 void fill_charges(
float **q_arr,
float **q_arr_list,
int &q_arr_count,
23 int &stray_count,
char *f_arr,
char *fz_arr,
PmeParticle p[]);
30 void fill_charges_order4(
float **q_arr,
float **q_arr_list,
int &q_arr_count,
31 int &stray_count,
char *f_arr,
char *fz_arr,
PmeParticle p[]);
33 void fill_charges_order(
float **q_arr,
float **q_arr_list,
int &q_arr_count,
34 int &stray_count,
char *f_arr,
char *fz_arr,
PmeParticle p[]);
35 void compute_forces_order4(
const float *
const *q_arr,
const PmeParticle p[],
38 void compute_forces_order(
const float *
const *q_arr,
const PmeParticle p[],
40 template <
int order>
void fill_b_spline(
PmeParticle p[]);
void compute_forces(const float *const *q_arr, const PmeParticle p[], Vector f[])
void fill_charges(float **q_arr, float **q_arr_list, int &q_arr_count, int &stray_count, char *f_arr, char *fz_arr, PmeParticle p[])
PmeRealSpace(PmeGrid grid)
void set_num_atoms(int natoms)
void compute_forces_order4_partial(int first, int last, const float *const *q_arr, const PmeParticle p[], Vector f[])