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, const real *data)
	Redistributes coefficients and when bFirst=true coordinates over MPI ranks.