Gromacs
2022-beta1
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#include "gromacs/math/vectypes.h"
This file makes declarations used for building the local topology.
Classes | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
Functions | |
int | dd_make_local_top (struct gmx_domdec_t *dd, struct gmx_domdec_zones_t *zones, int npbcdim, matrix box, rvec cellsize_min, const ivec npulse, t_forcerec *fr, gmx::ArrayRef< const gmx::RVec > coordinates, const gmx_mtop_t &top, gmx::ArrayRef< const int64_t > atomInfo, gmx_localtop_t *ltop) |
Generate the local topology and virtual site data. More... | |
int dd_make_local_top | ( | struct gmx_domdec_t * | dd, |
struct gmx_domdec_zones_t * | zones, | ||
int | npbcdim, | ||
matrix | box, | ||
rvec | cellsize_min, | ||
const ivec | npulse, | ||
t_forcerec * | fr, | ||
gmx::ArrayRef< const gmx::RVec > | coordinates, | ||
const gmx_mtop_t & | top, | ||
gmx::ArrayRef< const int64_t > | atomInfo, | ||
gmx_localtop_t * | ltop | ||
) |
Generate the local topology and virtual site data.