add support for single() and r-RESPA to pair style zero

src/pair_zero.cpp

@@ -31,6 +31,8 @@ using namespace LAMMPS_NS;
 PairZero::PairZero(LAMMPS *lmp) : Pair(lmp) {
   coeffflag=1;
   writedata=1;
+  single_enable=1;
+  respa_enable=1;
 }
 
 /* ---------------------------------------------------------------------- */
@@ -49,10 +51,16 @@ PairZero::~PairZero()
 void PairZero::compute(int eflag, int vflag)
 {
  ev_init(eflag,vflag);
-
  if (vflag_fdotr) virial_fdotr_compute();
 }
 
+/* ---------------------------------------------------------------------- */
+
+void PairZero::compute_outer(int eflag, int vflag)
+{
+ ev_init(eflag,vflag);
+}
+
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
@@ -227,4 +235,13 @@ void PairZero::write_data_all(FILE *fp)
       fprintf(fp,"%d %d %g\n",i,j,cut[i][j]);
 }
 
+/* ---------------------------------------------------------------------- */
+
+double PairZero::single(int /*i*/, int /*j*/, int /* itype */, int /* jtype */,
+                        double /* rsq */, double /*factor_coul*/,
+                        double /* factor_lj */, double &fforce)
+{
+  fforce = 0.0;
+  return 0.0;
+}
 

src/pair_zero.h

@@ -39,6 +39,7 @@ class PairZero : public Pair {
   PairZero(class LAMMPS *);
   virtual ~PairZero();
   virtual void compute(int, int);
+  virtual void compute_outer(int, int);
   void settings(int, char **);
   void coeff(int, char **);
   double init_one(int, int);
@@ -48,6 +49,7 @@ class PairZero : public Pair {
   void read_restart_settings(FILE *);
   void write_data(FILE *);
   void write_data_all(FILE *);
+  double single(int, int, int, int, double, double, double, double &);
 
  protected:
   double cut_global;