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[alexxy/gromacs.git] / src / gromacs / tables / forcetable.h

diff --git a/src/gromacs/tables/forcetable.h b/src/gromacs/tables/forcetable.h
index f98327beafdb69e98976e800eb7397a5c59ae6da..7b687250dc3ad81976a279d85c8049a032574b5f 100644 (file)
--- a/src/gromacs/tables/forcetable.h
+++ b/src/gromacs/tables/forcetable.h
@@ -54,16 +54,17 @@
 #include "gromacs/utility/real.h"
 
 /*! \brief Flag to select user tables for make_tables */
-#define GMX_MAKETABLES_FORCEUSER  (1<<0)
+#define GMX_MAKETABLES_FORCEUSER (1 << 0)
 /*! \brief Flag to only make 1,4 pair tables for make_tables */
-#define GMX_MAKETABLES_14ONLY     (1<<1)
+#define GMX_MAKETABLES_14ONLY (1 << 1)
 
 /*! \brief Enumerated type to describe the interaction types in a table */
-enum {
-    etiCOUL,  //!< Coulomb
-    etiLJ6,   //!< Dispersion
-    etiLJ12,  //!< Repulsion
-    etiNR     //!< Total number of interaction types
+enum
+{
+    etiCOUL, //!< Coulomb
+    etiLJ6,  //!< Dispersion
+    etiLJ12, //!< Repulsion
+    etiNR    //!< Total number of interaction types
 };
 
 /*! \brief Function pointer to calculate the grid contribution for coulomb/LJ
@@ -89,11 +90,10 @@ typedef double (*real_space_grid_contribution_computer)(double, double);
  * \param v_lr          Pointer to function calculating real-space grid contribution
  * \returns a set of Ewald correction tables
  */
-EwaldCorrectionTables
-generateEwaldCorrectionTables(int                                   numPoints,
-                              double                                tableScaling,
-                              real                                  beta,
-                              real_space_grid_contribution_computer v_lr);
+EwaldCorrectionTables generateEwaldCorrectionTables(int    numPoints,
+                                                    double tableScaling,
+                                                    real   beta,
+                                                    real_space_grid_contribution_computer v_lr);
 
 /*! \brief Compute scaling for the Ewald quadratic spline tables.
  *
@@ -102,9 +102,7 @@ generateEwaldCorrectionTables(int                                   numPoints,
  * \param generateVdwTables      Take the spacing for Van der Waals Ewald corrections into account
  * \return The scaling factor in units 1/nm
  */
-real ewald_spline3_table_scale(const interaction_const_t &ic,
-                               bool                       generateCoulombTables,
-                               bool                       generateVdwTables);
+real ewald_spline3_table_scale(const interaction_const_t& ic, bool generateCoulombTables, bool generateVdwTables);
 
 /*! \brief Return the real space grid contribution for Ewald
  *
@@ -132,9 +130,7 @@ double v_lj_ewald_lr(double beta, double r);
  *
  * \return Pointer to inner loop table structure
  */
-t_forcetable *make_tables(FILE *fp,
-                          const interaction_const_t *ic,
-                          const char *fn, real rtab, int flags);
+t_forcetable* make_tables(FILE* fp, const interaction_const_t* ic, const char* fn, real rtab, int flags);
 
 /*! \brief Return a table for bonded interactions,
  *
@@ -143,7 +139,7 @@ t_forcetable *make_tables(FILE *fp,
  * \param  angle   Type of angle: bonds 0, angles 1, dihedrals 2
  * \return New bonded table datatype
  */
-bondedtable_t make_bonded_table(FILE *fplog, const char *fn, int angle);
+bondedtable_t make_bonded_table(FILE* fplog, const char* fn, int angle);
 
 /*! \brief Construct and return tabulated dispersion and repulsion interactions
  *
@@ -151,7 +147,6 @@ bondedtable_t make_bonded_table(FILE *fplog, const char *fn, int angle);
  * Returns pointer owning nothing when tabfn=nullptr.
  */
 std::unique_ptr<t_forcetable>
-makeDispersionCorrectionTable(FILE *fp, const interaction_const_t *ic,
-                              real rtab, const char *tabfn);
+makeDispersionCorrectionTable(FILE* fp, const interaction_const_t* ic, real rtab, const char* tabfn);
 
-#endif  /* GMX_TABLES_FORCETABLE_H */
+#endif /* GMX_TABLES_FORCETABLE_H */