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Msmpot_t Struct Reference

#include <msmpot_internal.h>

List of all members.

Public Attributes
float *	epotmap
int	mx
int	my
int	mz
float	lx
float	ly
float	lz
float	lx0
float	ly0
float	lz0
float	dx
float	dy
float	dz
const float *	atom
int	natoms
int	isperiodic
float	px
float	py
float	pz
float	px0
float	py0
float	pz0
float	density
float	xmin
float	xmax
float	ymin
float	ymax
float	zmin
float	zmax
float *	bin
int *	bincount
int	bindepth
int	nbx
int	nby
int	nbz
int	maxbin
int	isbinwrap
int	islongcutoff
float	binfill
float	bx
float	by
float	bz
float	invbx
float	invby
float	invbz
float *	over
int	nover
int	maxover
int *	boff
int	nboff
int	maxboff
float	errtol
float	hmin
float	hx
float	hy
float	hz
float	a
int	nx
int	ny
int	nz
int	interp
int	split
int	nlevels
floatGrid *	qh
floatGrid *	eh
floatGrid *	gc
int	maxlevels
int	px2
int	py2
int	pz2
int	px3
int	py3
int	pz3
float	hx_dx
float	hy_dy
float	hz_dz
int	cycle_x
int	cycle_y
int	cycle_z
int	rmap_x
int	rmap_y
int	rmap_z
int	max_phi_x
int	max_phi_y
int	max_phi_z
float *	phi_x
float *	phi_y
float *	phi_z
int	max_ezd
int	max_eyzd
float *	ezd
float *	eyzd
int	max_lzd
int	max_lyzd
float *	lzd
float *	lyzd
int	maxatoms
int *	first_atom_index
int *	next_atom_index

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Member Data Documentation

float Msmpot_t::a

Definition at line 244 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, Msmpot_compute_shortrng_bin_neighborhood, Msmpot_configure, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_latcut, Msmpot_set_defaults, setup_hierarchy, and setup_origin.

const float* Msmpot_t::atom

Definition at line 169 of file msmpot_internal.h. Referenced by anterpolation, Msmpot_compute, Msmpot_compute_shortrng_bin_hashing, and setup_domain.

float* Msmpot_t::bin

Definition at line 199 of file msmpot_internal.h. Referenced by bin_evaluation, Msmpot_cleanup, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, and setup_bins.

int* Msmpot_t::bincount

Definition at line 200 of file msmpot_internal.h. Referenced by bin_evaluation, Msmpot_cleanup, Msmpot_compute_shortrng_bin_hashing, and setup_bins.

int Msmpot_t::bindepth

Definition at line 201 of file msmpot_internal.h. Referenced by bin_evaluation, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, Msmpot_set_defaults, and setup_bins.

float Msmpot_t::binfill

Definition at line 206 of file msmpot_internal.h. Referenced by Msmpot_configure, Msmpot_set_defaults, and setup_bins.

int* Msmpot_t::boff

Definition at line 214 of file msmpot_internal.h. Referenced by bin_evaluation, Msmpot_cleanup, Msmpot_compute_shortrng_bin_neighborhood, and Msmpot_cuda_setup_shortrng.

float Msmpot_t::bx

Definition at line 207 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_neighborhood, Msmpot_compute_shortrng_bins, setup_bins, and setup_origin.

float Msmpot_t::by

Definition at line 207 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_neighborhood, Msmpot_compute_shortrng_bins, setup_bins, and setup_origin.

float Msmpot_t::bz

Definition at line 207 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_neighborhood, Msmpot_compute_shortrng_bins, setup_bins, and setup_origin.

int Msmpot_t::cycle_x

Definition at line 284 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::cycle_y

Definition at line 284 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::cycle_z

Definition at line 284 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

float Msmpot_t::density

Definition at line 176 of file msmpot_internal.h. Referenced by Msmpot_configure, Msmpot_set_defaults, and setup_bins.

float Msmpot_t::dx

Definition at line 167 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_compute_shortrng_bins, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_domain, setup_hierarchy, and setup_mapinterp.

float Msmpot_t::dy

Definition at line 167 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_compute_shortrng_bins, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_domain, setup_hierarchy, and setup_mapinterp.

float Msmpot_t::dz

Definition at line 167 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_compute_shortrng_bins, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_domain, setup_hierarchy, and setup_mapinterp.

floatGrid* Msmpot_t::eh

Definition at line 266 of file msmpot_internal.h. Referenced by interpolation, interpolation_factored, latticecutoff, Msmpot_cleanup, prolongation, and setup_hierarchy.

float* Msmpot_t::epotmap

Definition at line 163 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, interpolation_factored, linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, and Msmpot_cuda_compute_shortrng.

float Msmpot_t::errtol

Definition at line 240 of file msmpot_internal.h. Referenced by Msmpot_configure, and Msmpot_set_defaults.

float* Msmpot_t::eyzd

Definition at line 298 of file msmpot_internal.h. Referenced by interpolation_factored, Msmpot_cleanup, and setup_mapinterp.

float* Msmpot_t::ezd

Definition at line 297 of file msmpot_internal.h. Referenced by interpolation_factored, Msmpot_cleanup, and setup_mapinterp.

int* Msmpot_t::first_atom_index

Definition at line 307 of file msmpot_internal.h. Referenced by linklist_evaluation, linklist_hashing, Msmpot_cleanup, and setup_bins.

floatGrid* Msmpot_t::gc

Definition at line 267 of file msmpot_internal.h. Referenced by latticecutoff, Msmpot_cleanup, and setup_hierarchy.

float Msmpot_t::hmin

Definition at line 242 of file msmpot_internal.h. Referenced by Msmpot_check_params, Msmpot_configure, Msmpot_set_defaults, setup_nonperiodic_hlevelparams_1d, and setup_periodic_hlevelparams_1d.

float Msmpot_t::hx

Definition at line 243 of file msmpot_internal.h. Referenced by anterpolation, interpolation, Msmpot_cuda_setup_latcut, setup_hierarchy, and setup_mapinterp.

float Msmpot_t::hx_dx

Definition at line 282 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

float Msmpot_t::hy

Definition at line 243 of file msmpot_internal.h. Referenced by anterpolation, interpolation, Msmpot_cuda_setup_latcut, setup_hierarchy, and setup_mapinterp.

float Msmpot_t::hy_dy

Definition at line 282 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

float Msmpot_t::hz

Definition at line 243 of file msmpot_internal.h. Referenced by anterpolation, interpolation, Msmpot_cuda_setup_latcut, setup_hierarchy, and setup_mapinterp.

float Msmpot_t::hz_dz

Definition at line 282 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::interp

Definition at line 247 of file msmpot_internal.h. Referenced by Msmpot_compute_longrng, Msmpot_configure, Msmpot_set_defaults, setup_hierarchy, setup_mapinterpcoef_1d, and setup_nonperiodic_hlevelparams_1d.

float Msmpot_t::invbx

Definition at line 208 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_compute_shortrng_bin_neighborhood, Msmpot_cuda_compute_shortrng, setup_bins, and setup_origin.

float Msmpot_t::invby

Definition at line 208 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_compute_shortrng_bin_neighborhood, Msmpot_cuda_compute_shortrng, setup_bins, and setup_origin.

float Msmpot_t::invbz

Definition at line 208 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_compute_shortrng_bin_neighborhood, Msmpot_cuda_compute_shortrng, setup_bins, and setup_origin.

int Msmpot_t::isbinwrap

Definition at line 204 of file msmpot_internal.h. Referenced by setup_origin.

int Msmpot_t::islongcutoff

Definition at line 205 of file msmpot_internal.h. Referenced by Msmpot_setup, and setup_origin.

int Msmpot_t::isperiodic

Definition at line 172 of file msmpot_internal.h. Referenced by anterpolation, bin_evaluation, interpolation, interpolation_factored, latticecutoff, linklist_evaluation, linklist_hashing, Msmpot_compute, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup, Msmpot_cuda_setup_latcut, Msmpot_cuda_setup_shortrng, prolongation, restriction, setup_domain, setup_hierarchy, and setup_origin.

float Msmpot_t::lx

Definition at line 165 of file msmpot_internal.h. Referenced by linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_setup, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::lx0

Definition at line 166 of file msmpot_internal.h. Referenced by anterpolation, bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

float Msmpot_t::ly

Definition at line 165 of file msmpot_internal.h. Referenced by linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_setup, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::ly0

Definition at line 166 of file msmpot_internal.h. Referenced by anterpolation, bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

float* Msmpot_t::lyzd

Definition at line 302 of file msmpot_internal.h. Referenced by Msmpot_cleanup, prolongation, restriction, and setup_hierarchy.

float Msmpot_t::lz

Definition at line 165 of file msmpot_internal.h. Referenced by linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_setup, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::lz0

Definition at line 166 of file msmpot_internal.h. Referenced by anterpolation, bin_evaluation, interpolation, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

float* Msmpot_t::lzd

Definition at line 301 of file msmpot_internal.h. Referenced by Msmpot_cleanup, prolongation, restriction, and setup_hierarchy.

int Msmpot_t::max_eyzd

Definition at line 296 of file msmpot_internal.h. Referenced by setup_mapinterp.

int Msmpot_t::max_ezd

Definition at line 296 of file msmpot_internal.h. Referenced by setup_mapinterp.

int Msmpot_t::max_lyzd

Definition at line 300 of file msmpot_internal.h. Referenced by setup_hierarchy.

int Msmpot_t::max_lzd

Definition at line 300 of file msmpot_internal.h. Referenced by setup_hierarchy.

int Msmpot_t::max_phi_x

Definition at line 287 of file msmpot_internal.h. Referenced by setup_mapinterp.

int Msmpot_t::max_phi_y

Definition at line 287 of file msmpot_internal.h. Referenced by setup_mapinterp.

int Msmpot_t::max_phi_z

Definition at line 287 of file msmpot_internal.h. Referenced by setup_mapinterp.

int Msmpot_t::maxatoms

Definition at line 306 of file msmpot_internal.h. Referenced by setup_bins.

int Msmpot_t::maxbin

Definition at line 203 of file msmpot_internal.h. Referenced by setup_bins.

int Msmpot_t::maxboff

Definition at line 216 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_neighborhood.

int Msmpot_t::maxlevels

Definition at line 268 of file msmpot_internal.h. Referenced by Msmpot_cleanup, Msmpot_cuda_setup_latcut, and setup_hierarchy.

int Msmpot_t::maxover

Definition at line 212 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_hashing, and setup_bins.

int Msmpot_t::mx

Definition at line 164 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, interpolation_factored, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, and setup_mapinterp.

int Msmpot_t::my

Definition at line 164 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, interpolation_factored, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, and setup_mapinterp.

int Msmpot_t::mz

Definition at line 164 of file msmpot_internal.h. Referenced by bin_evaluation, interpolation, interpolation_factored, linklist_evaluation, Msmpot_compute, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, and setup_mapinterp.

int Msmpot_t::natoms

Definition at line 170 of file msmpot_internal.h. Referenced by anterpolation, Msmpot_compute, Msmpot_compute_shortrng_bin_hashing, setup_bins, and setup_domain.

int Msmpot_t::nboff

Definition at line 215 of file msmpot_internal.h. Referenced by bin_evaluation, Msmpot_compute_shortrng_bin_neighborhood, and Msmpot_cuda_setup_shortrng.

int Msmpot_t::nbx

Definition at line 202 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_bins, and setup_origin.

int Msmpot_t::nby

Definition at line 202 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_bins, and setup_origin.

int Msmpot_t::nbz

Definition at line 202 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_cuda_setup_shortrng, setup_bins, and setup_origin.

int* Msmpot_t::next_atom_index

Definition at line 308 of file msmpot_internal.h. Referenced by linklist_evaluation, linklist_hashing, Msmpot_cleanup, and setup_bins.

int Msmpot_t::nlevels

Definition at line 250 of file msmpot_internal.h. Referenced by Msmpot_compute_longrng_cubic, Msmpot_configure, Msmpot_cuda_setup_latcut, and setup_hierarchy.

int Msmpot_t::nover

Definition at line 211 of file msmpot_internal.h. Referenced by Msmpot_compute_shortrng_bin_hashing, Msmpot_compute_shortrng_bins, and Msmpot_cuda_compute_shortrng.

int Msmpot_t::nx

Definition at line 245 of file msmpot_internal.h. Referenced by setup_hierarchy, and setup_mapinterp.

int Msmpot_t::ny

Definition at line 245 of file msmpot_internal.h. Referenced by setup_hierarchy, and setup_mapinterp.

int Msmpot_t::nz

Definition at line 245 of file msmpot_internal.h. Referenced by setup_hierarchy, and setup_mapinterp.

float* Msmpot_t::over

Definition at line 210 of file msmpot_internal.h. Referenced by Msmpot_cleanup, Msmpot_compute_shortrng_bin_hashing, Msmpot_compute_shortrng_bins, Msmpot_cuda_compute_shortrng, and setup_bins.

float* Msmpot_t::phi_x

Definition at line 288 of file msmpot_internal.h. Referenced by interpolation_factored, Msmpot_cleanup, and setup_mapinterp.

float* Msmpot_t::phi_y

Definition at line 289 of file msmpot_internal.h. Referenced by interpolation_factored, Msmpot_cleanup, and setup_mapinterp.

float* Msmpot_t::phi_z

Definition at line 290 of file msmpot_internal.h. Referenced by interpolation_factored, Msmpot_cleanup, and setup_mapinterp.

float Msmpot_t::px

Definition at line 173 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_setup, setup_bins, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::px0

Definition at line 174 of file msmpot_internal.h. Referenced by anterpolation, interpolation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

int Msmpot_t::px2

Definition at line 280 of file msmpot_internal.h.

int Msmpot_t::px3

Definition at line 281 of file msmpot_internal.h.

float Msmpot_t::py

Definition at line 173 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_setup, setup_bins, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::py0

Definition at line 174 of file msmpot_internal.h. Referenced by anterpolation, interpolation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

int Msmpot_t::py2

Definition at line 280 of file msmpot_internal.h.

int Msmpot_t::py3

Definition at line 281 of file msmpot_internal.h.

float Msmpot_t::pz

Definition at line 173 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, Msmpot_compute, Msmpot_compute_longrng_cubic, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, Msmpot_setup, setup_bins, setup_domain, setup_hierarchy, setup_mapinterp, and setup_origin.

float Msmpot_t::pz0

Definition at line 174 of file msmpot_internal.h. Referenced by anterpolation, interpolation, linklist_hashing, Msmpot_compute_shortrng_bin_hashing, Msmpot_cuda_compute_shortrng, setup_domain, setup_hierarchy, and setup_origin.

int Msmpot_t::pz2

Definition at line 280 of file msmpot_internal.h.

int Msmpot_t::pz3

Definition at line 281 of file msmpot_internal.h.

floatGrid* Msmpot_t::qh

Definition at line 265 of file msmpot_internal.h. Referenced by anterpolation, latticecutoff, Msmpot_cleanup, Msmpot_cuda_setup_latcut, restriction, and setup_hierarchy.

int Msmpot_t::rmap_x

Definition at line 285 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::rmap_y

Definition at line 285 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::rmap_z

Definition at line 285 of file msmpot_internal.h. Referenced by interpolation_factored, and setup_mapinterp.

int Msmpot_t::split

Definition at line 248 of file msmpot_internal.h. Referenced by bin_evaluation, linklist_evaluation, Msmpot_configure, Msmpot_cuda_setup_latcut, Msmpot_set_defaults, and setup_hierarchy.

float Msmpot_t::xmax

Definition at line 178 of file msmpot_internal.h. Referenced by setup_domain, and setup_hierarchy.

float Msmpot_t::xmin

Definition at line 178 of file msmpot_internal.h. Referenced by setup_domain.

float Msmpot_t::ymax

Definition at line 179 of file msmpot_internal.h. Referenced by setup_domain, and setup_hierarchy.

float Msmpot_t::ymin

Definition at line 179 of file msmpot_internal.h. Referenced by setup_domain.

float Msmpot_t::zmax

Definition at line 180 of file msmpot_internal.h. Referenced by setup_domain, and setup_hierarchy.

float Msmpot_t::zmin

Definition at line 180 of file msmpot_internal.h. Referenced by setup_domain.

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The documentation for this struct was generated from the following file:

• msmpot_internal.h

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