src/gromacs/ewald/pme-redistribute.h

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  35 #ifndef GMX_EWALD_PME_REDISTRIBUTE_H
  36 #define GMX_EWALD_PME_REDISTRIBUTE_H
  37
  38 #include "pme-internal.h"
  39
  40 void
  41 pme_realloc_atomcomm_things(pme_atomcomm_t *atc);
  42
  43 void
  44 dd_pmeredist_f(struct gmx_pme_t *pme, pme_atomcomm_t *atc,
  45                int n, rvec *f,
  46                gmx_bool bAddF);
  47
  48 void
  49 do_redist_pos_coeffs(struct gmx_pme_t *pme, t_commrec *cr, int start, int homenr,
  50                      gmx_bool bFirst, rvec x[], real *data);
  51
  52 #endif