Fix sorting and doxygen

[alexxy/gromacs.git] / src / gromacs / legacyheaders / nsgrid.h

diff --git a/src/gromacs/legacyheaders/nsgrid.h b/src/gromacs/legacyheaders/nsgrid.h
index ee068d9fa3a237c095544480da3259a8c50b0700..728e887654fbdf0ffb5339cca0accea8911fbaed 100644 (file)
--- a/src/gromacs/legacyheaders/nsgrid.h
+++ b/src/gromacs/legacyheaders/nsgrid.h
@@ -3,7 +3,7 @@
  *
  * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
  * Copyright (c) 2001-2004, The GROMACS development team.
- * Copyright (c) 2013, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -35,22 +35,28 @@
  * the research papers on the package. Check out http://www.gromacs.org.
  */
 
-#include "typedefs.h"
+#include "gromacs/legacyheaders/typedefs.h"
 
 #ifdef __cplusplus
 extern "C" {
 #endif
 
-#define   GRID_STDDEV_FAC  sqrt(3)
-#define NSGRID_STDDEV_FAC  2.0
-/*
- * GRID_STDDEV_FAC * stddev is used to estimate the interaction density.
- * sqrt(3) gives a uniform load for a rectangular block of cg's.
- * For a sphere it is not a bad approximation for 4x1x1 up to 4x2x2.
+/*! \brief Used when estimating the interaction density.
+ *
+ * GRID_STDDEV_FAC * stddev estimates the interaction density. The
+ * value sqrt(3) == 1.73205080757 gives a uniform load for a
+ * rectangular 3D block of charge groups. For a sphere, it is not a
+ * bad approximation for 4x1x1 up to 4x2x2.
  *
- * The extent of the neighborsearch grid is a bit larger than sqrt(3)
+ * \todo It would be nicer to use sqrt(3) here, when all code that
+ * includes this file is in C++, which will let us cope with the
+ * std::sqrt<T> on Windows. */
+static const real GRID_STDDEV_FAC = 1.73205080757;
+
+/*! \brief The extent of the neighborsearch grid is a bit larger than sqrt(3)
  * to account for less dense regions at the edges of the system.
  */
+static const real NSGRID_STDDEV_FAC = 2.0;
 
 #define NSGRID_SIGNAL_MOVED_FAC  4
 /* A cell index of NSGRID_SIGNAL_MOVED_FAC*ncells signals
@@ -106,9 +112,6 @@ void check_grid(t_grid *grid);
 
 void print_grid(FILE *log, t_grid *grid);
 
-void mv_grid(t_commrec *cr, t_grid *grid);
-/* Move the grid over processors */
-
 #ifdef __cplusplus
 }
 #endif