split kspace style constructor into plain constructor and settings() method

src/force.cpp

@@ -665,14 +665,14 @@ Improper *Force::improper_match(const char *style)
    new kspace style
 ------------------------------------------------------------------------- */
 
-void Force::create_kspace(int narg, char **arg, int trysuffix)
+void Force::create_kspace(const char *style, int trysuffix)
 {
   delete [] kspace_style;
   if (kspace) delete kspace;
 
   int sflag;
-  kspace = new_kspace(narg,arg,trysuffix,sflag);
-  store_style(kspace_style,arg[0],sflag);
+  kspace = new_kspace(style,trysuffix,sflag);
+  store_style(kspace_style,style,sflag);
 
   if (comm->style == 1 && !kspace_match("ewald",0))
     error->all(FLERR,
@@ -683,39 +683,39 @@ void Force::create_kspace(int narg, char **arg, int trysuffix)
    generate a kspace class
 ------------------------------------------------------------------------- */
 
-KSpace *Force::new_kspace(int narg, char **arg, int trysuffix, int &sflag)
+KSpace *Force::new_kspace(const char *style, int trysuffix, int &sflag)
 {
   if (trysuffix && lmp->suffix_enable) {
     if (lmp->suffix) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",arg[0],lmp->suffix);
+      sprintf(estyle,"%s/%s",style,lmp->suffix);
       if (kspace_map->find(estyle) != kspace_map->end()) {
         KSpaceCreator kspace_creator = (*kspace_map)[estyle];
-        return kspace_creator(lmp, narg-1, &arg[1]);
+        return kspace_creator(lmp);
       }
     }
 
     if (lmp->suffix2) {
       sflag = 1;
       char estyle[256];
-      sprintf(estyle,"%s/%s",arg[0],lmp->suffix2);
+      sprintf(estyle,"%s/%s",style,lmp->suffix2);
       if (kspace_map->find(estyle) != kspace_map->end()) {
         KSpaceCreator kspace_creator = (*kspace_map)[estyle];
-        return kspace_creator(lmp, narg-1, &arg[1]);
+        return kspace_creator(lmp);
       }
     }
   }
 
   sflag = 0;
-  if (strcmp(arg[0],"none") == 0) return NULL;
-  if (kspace_map->find(arg[0]) != kspace_map->end()) {
-    KSpaceCreator kspace_creator = (*kspace_map)[arg[0]];
-    return kspace_creator(lmp, narg-1, &arg[1]);
+  if (strcmp(style,"none") == 0) return NULL;
+  if (kspace_map->find(style) != kspace_map->end()) {
+    KSpaceCreator kspace_creator = (*kspace_map)[style];
+    return kspace_creator(lmp);
   }
 
   char str[128];
-  sprintf(str,"Unknown kspace style %s",arg[0]);
+  sprintf(str,"Unknown kspace style %s",style);
   error->all(FLERR,str);
 
   return NULL;
@@ -726,9 +726,9 @@ KSpace *Force::new_kspace(int narg, char **arg, int trysuffix, int &sflag)
 ------------------------------------------------------------------------- */
 
 template <typename T>
-KSpace *Force::kspace_creator(LAMMPS *lmp, int narg, char ** arg)
+KSpace *Force::kspace_creator(LAMMPS *lmp)
 {
-  return new T(lmp, narg, arg);
+  return new T(lmp);
 }
 
 /* ----------------------------------------------------------------------

src/force.h

@@ -72,7 +72,7 @@ class Force : protected Pointers {
   typedef Angle *(*AngleCreator)(LAMMPS *);
   typedef Dihedral *(*DihedralCreator)(LAMMPS *);
   typedef Improper *(*ImproperCreator)(LAMMPS *);
-  typedef KSpace *(*KSpaceCreator)(LAMMPS *,int,char**);
+  typedef KSpace *(*KSpaceCreator)(LAMMPS *);
 
   typedef std::map<std::string,PairCreator> PairCreatorMap;
   typedef std::map<std::string,BondCreator> BondCreatorMap;
@@ -123,8 +123,8 @@ class Force : protected Pointers {
   class Improper *new_improper(const char *, int, int &);
   class Improper *improper_match(const char *);
 
-  void create_kspace(int, char **, int);
-  class KSpace *new_kspace(int, char **, int, int &);
+  void create_kspace(const char *, int);
+  class KSpace *new_kspace(const char *, int, int &);
   class KSpace *kspace_match(const char *, int);
 
   void store_style(char *&, const char *, int);
@@ -148,7 +148,7 @@ class Force : protected Pointers {
   template <typename T> static Angle *angle_creator(LAMMPS *);
   template <typename T> static Dihedral *dihedral_creator(LAMMPS *);
   template <typename T> static Improper *improper_creator(LAMMPS *);
-  template <typename T> static KSpace *kspace_creator(LAMMPS *, int, char **);
+  template <typename T> static KSpace *kspace_creator(LAMMPS *);
 };
 
 }

src/input.cpp

@@ -1633,7 +1633,8 @@ void Input::kspace_modify()
 
 void Input::kspace_style()
 {
-  force->create_kspace(narg,arg,1);
+  force->create_kspace(arg[0],1);
+  if (force->kspace) force->kspace->settings(narg-1,&arg[1]);
 }
 
 /* ---------------------------------------------------------------------- */

src/kspace.cpp

@@ -30,7 +30,7 @@ using namespace LAMMPS_NS;
 
 /* ---------------------------------------------------------------------- */
 
-KSpace::KSpace(LAMMPS *lmp, int /*narg*/, char **/*arg*/) : Pointers(lmp)
+KSpace::KSpace(LAMMPS *lmp) : Pointers(lmp)
 {
   order_allocated = 0;
   energy = 0.0;

src/kspace.h

@@ -92,7 +92,7 @@ class KSpace : protected Pointers {
 
   double splittol;                // tolerance for when to truncate splitting
 
-  KSpace(class LAMMPS *, int, char **);
+  KSpace(class LAMMPS *);
   virtual ~KSpace();
   void triclinic_check();
   void modify_params(int, char **);
@@ -112,6 +112,7 @@ class KSpace : protected Pointers {
 
   // general child-class methods
 
+  virtual void settings(int, char **) {};
   virtual void init() = 0;
   virtual void setup() = 0;
   virtual void setup_grid() {};