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Exposing fphi_uind to the gpu pair style, still keeping the part not ready though

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Trung Nguyen
2022-09-02 14:55:20 -05:00
parent cad7e1b364
commit 21b7fb2fcf
6 changed files with 193 additions and 99 deletions
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14
lib/gpu/lal_base_amoeba.h
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@ -151,8 +151,8 @@ class BaseAmoeba {
double *charge, double *boxlo, double *prd);
virtual void precompute_induce(const int inum_full, const int bsorder,
double **host_thetai1, double **host_thetai2,
double **host_thetai3, int** igrid,
double ***host_thetai1, double ***host_thetai2,
double ***host_thetai3, int** igrid,
double* grid_brick_start, int nzlo_out,
int nzhi_out, int nylo_out, int nyhi_out,
int nxlo_out, int nxhi_out);
@ -180,12 +180,12 @@ class BaseAmoeba {
const double aewald, const double off2_polar, void **fieldp_ptr);
virtual void compute_fphi_uind(const int inum_full, const int bsorder,
double **host_thetai1, double **host_thetai2,
double **host_thetai3, int** igrid,
double *host_grid_brick_start, double **host_fdip_phi1,
double **host_fdip_phi2, double **host_fdip_sum_phi,
double ***host_thetai1, double ***host_thetai2,
double ***host_thetai3, int** igrid,
double *host_grid_brick_start, void **host_fdip_phi1,
void **host_fdip_phi2, void **host_fdip_sum_phi,
int nzlo_out, int nzhi_out, int nylo_out, int nyhi_out,
int nxlo_out, int nxhi_out);
int nxlo_out, int nxhi_out, bool& first_iteration);
/// Compute polar real-space with device neighboring
virtual void compute_polar_real(int *host_amtype, int *host_amgroup, double **host_rpole,