PME GPU/CUDA data framework.

[alexxy/gromacs.git] / src / gromacs / ewald / pme-grid.h

diff --git a/src/gromacs/ewald/pme-grid.h b/src/gromacs/ewald/pme-grid.h
index 7f398a24f95c9222e42d2d79bafe3176598eff3a..e5e4f6236889d1f335ecd56946493eecf9039bed 100644 (file)
--- a/src/gromacs/ewald/pme-grid.h
+++ b/src/gromacs/ewald/pme-grid.h
@@ -41,8 +41,7 @@
 #include "gromacs/utility/basedefinitions.h"
 #include "gromacs/utility/real.h"
 
-#include "pme-internal.h"
-
+struct gmx_pme_t;
 
 /*! \brief
  * We allow coordinates to be out the unit-cell by up to 2 box lengths,
@@ -56,24 +55,26 @@ constexpr int c_pmeMaxUnitcellShift = 2;
  */
 constexpr int c_pmeNeighborUnitcellCount = 2*c_pmeMaxUnitcellShift + 1;
 
+struct pmegrid_t;
+struct pmegrids_t;
 
 #if GMX_MPI
 void
-gmx_sum_qgrid_dd(struct gmx_pme_t *pme, real *grid, int direction);
+gmx_sum_qgrid_dd(gmx_pme_t *pme, real *grid, int direction);
 #endif
 
 int
 copy_pmegrid_to_fftgrid(const gmx_pme_t *pme, real *pmegrid, real *fftgrid, int grid_index);
 
 int
-copy_fftgrid_to_pmegrid(struct gmx_pme_t *pme, const real *fftgrid, real *pmegrid, int grid_index,
+copy_fftgrid_to_pmegrid(gmx_pme_t *pme, const real *fftgrid, real *pmegrid, int grid_index,
                         int nthread, int thread);
 
 void
 wrap_periodic_pmegrid(const gmx_pme_t *pme, real *pmegrid);
 
 void
-unwrap_periodic_pmegrid(struct gmx_pme_t *pme, real *pmegrid);
+unwrap_periodic_pmegrid(gmx_pme_t *pme, real *pmegrid);
 
 void
 pmegrid_init(pmegrid_t *grid,
@@ -110,6 +111,6 @@ reuse_pmegrids(const pmegrids_t *oldgrid, pmegrids_t *newgrid);
 /* This function is called from gmx_pme_do() only from debugging code
    that is commented out. */
 void
-dump_local_fftgrid(struct gmx_pme_t *pme, const real *fftgrid);
+dump_local_fftgrid(gmx_pme_t *pme, const real *fftgrid);
 
 #endif