Gromacs
2025-dev-20241002-88a4191
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#include "gmxpre.h"
#include "gromacs/selection/nbsearch.h"
#include <cmath>
#include <cstring>
#include <algorithm>
#include <memory>
#include <mutex>
#include <string>
#include <vector>
#include "gromacs/math/functions.h"
#include "gromacs/math/vec.h"
#include "gromacs/math/vectypes.h"
#include "gromacs/mdtypes/md_enums.h"
#include "gromacs/pbcutil/pbc.h"
#include "gromacs/selection/position.h"
#include "gromacs/utility/arrayref.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/classhelpers.h"
#include "gromacs/utility/enumerationhelpers.h"
#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/listoflists.h"
#include "gromacs/utility/real.h"
#include "gromacs/utility/stringutil.h"
Implements neighborhood searching for analysis (from nbsearch.h).
High-level overview of the algorithm is at Neighborhood search for analysis tools.
Classes | |
class | gmx::anonymous_namespace{nbsearch.cpp}::MindistAction |
Search action find the minimum distance. More... | |
Functions | |
void | gmx::anonymous_namespace{nbsearch.cpp}::computeBoundingBox (int posCount, const rvec x[], rvec origin, rvec size) |
Computes the bounding box for a set of positions. More... | |
bool | gmx::anonymous_namespace{nbsearch.cpp}::withinAction (int, real, const rvec) |
Search action to find the next neighbor. More... | |