Gromacs
2025.2
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#include "gromacs/math/vectypes.h"
#include "gromacs/utility/basedefinitions.h"
#include "gromacs/utility/real.h"
#include "pme_internal.h"
Declares functions for redistributing atoms over the PME domains.
Classes | |
class | gmx::ArrayRef< typename > |
STL-like interface to a C array of T (or part of a std container of T). More... | |
Functions | |
void | dd_pmeredist_f (struct gmx_pme_t *pme, PmeAtomComm *atc, gmx::ArrayRef< gmx::RVec > f, gmx_bool bAddF) |
Redistributes forces along the dimension gives by atc . | |
void | do_redist_pos_coeffs (struct gmx_pme_t *pme, const t_commrec *cr, gmx_bool bFirst, gmx::ArrayRef< const gmx::RVec > x, gmx::ArrayRef< const real > data) |
Redistributes coefficients and when bFirst=true coordinates over MPI ranks. | |