src/gromacs/ewald/pme-gather.h

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  35 #ifndef GMX_EWALD_PME_GATHER_H
  36 #define GMX_EWALD_PME_GATHER_H
  37
  38 #include "gromacs/utility/real.h"
  39
  40 #include "pme-internal.h"
  41
  42 void
  43 gather_f_bsplines(struct gmx_pme_t *pme, real *grid,
  44                   gmx_bool bClearF, pme_atomcomm_t *atc,
  45                   splinedata_t *spline,
  46                   real scale);
  47
  48 real
  49 gather_energy_bsplines(struct gmx_pme_t *pme, real *grid,
  50                        pme_atomcomm_t *atc);
  51
  52 #endif