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Working hippo multipole real-space term, added helper functions in a separate file

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This commit is contained in:
Trung Nguyen
2021-09-24 16:44:43 -05:00
parent ad8164dfc0
commit e77df80ce2
7 changed files with 797 additions and 34 deletions
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7
lib/gpu/lal_hippo_ext.cpp
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@ -38,6 +38,7 @@ int hippo_gpu_init(const int ntypes, const int max_amtype, const int max_amclass
const double *host_special_polar_piscale,
const double *host_special_polar_pscale,
const double *host_csix, const double *host_adisp,
const double *host_pcore, const double *host_palpha,
const int nlocal, const int nall, const int max_nbors,
const int maxspecial, const int maxspecial15,
const double cell_size, int &gpu_mode, FILE *screen,
@ -73,7 +74,8 @@ int hippo_gpu_init(const int ntypes, const int max_amtype, const int max_amclass
host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_csix, host_adisp, nlocal, nall, max_nbors,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);
@ -97,7 +99,8 @@ int hippo_gpu_init(const int ntypes, const int max_amtype, const int max_amclass
host_special_repel, host_special_disp,
host_special_mpole, host_special_polar_wscale,
host_special_polar_piscale, host_special_polar_pscale,
host_csix, host_adisp, nlocal, nall, max_nbors,
host_csix, host_adisp, host_pcore, host_palpha,
nlocal, nall, max_nbors,
maxspecial, maxspecial15, cell_size, gpu_split,
screen, polar_dscale, polar_uscale);