Gromacs  2024.2
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pme_redistribute.h File Reference
#include "pme_internal.h"
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Description

Declares functions for redistributing atoms over the PME domains.

Author
Berk Hess hess@.nosp@m.kth..nosp@m.se

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.