Gromacs
2020.1
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#include <cstdio>
#include "gromacs/gpu_utils/hostallocator.h"
#include "gromacs/utility/basedefinitions.h"
Declares the atom redistribution function.
Functions | |
void | dd_redistribute_cg (FILE *fplog, int64_t step, gmx_domdec_t *dd, ivec tric_dir, t_state *state, gmx::PaddedHostVector< gmx::RVec > *f, t_forcerec *fr, t_nrnb *nrnb, int *ncg_moved) |
Redistribute the atoms to their, new, local domains. | |