Class Nonbonded

Defined in File common.h

Class Documentation

class Nonbonded

Public Static Functions

static void add_Vec3_to_vector(std::vector<double> &vec, const Vec3 &vec3)

static void calc_dR(const vec_d &coords, int i, int j, double *deltaR)

static double dot3(const double *u, const double *v)

static std::vector<std::set<int>> calc_exclusions_from_bonds(const std::vector<std::pair<int, int>> bonds, const int bond_cutoff, const int n_sites)

Public Static Attributes

static const int XIdx = 0

static const int YIdx = 1

static const int ZIdx = 2

static const int RIdx = 3

static const int R2Idx = 4

static const int RInvIdx = 5

static const int RMaxIdx = 6

static int num_threads

static bool use_threads