Merge branch 'evoyiatzis-patch-1' of https://github.com/evoyiatzis/lammps into collected-post-stable-patches

src/CLASS2/pair_lj_class2.cpp

@@ -14,6 +14,7 @@
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
+#include <cstring>
 #include "pair_lj_class2.h"
 #include "atom.h"
 #include "comm.h"
@@ -394,3 +395,13 @@ double PairLJClass2::single(int /*i*/, int /*j*/, int itype, int jtype, double r
     offset[itype][jtype];
   return factor_lj*philj;
 }
+
+/* ---------------------------------------------------------------------- */
+
+void *PairLJClass2::extract(const char *str, int &dim)
+{
+  dim = 2;
+  if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
+  if (strcmp(str,"sigma") == 0) return (void *) sigma;
+  return NULL;
+}

src/CLASS2/pair_lj_class2.h

@@ -39,6 +39,7 @@ class PairLJClass2 : public Pair {
   void write_data(FILE *);
   void write_data_all(FILE *);
   double single(int, int, int, int, double, double, double, double &);
+  void *extract(const char *, int &);
 
  protected:
   double cut_global;

src/CLASS2/pair_lj_class2_coul_cut.cpp

@@ -14,6 +14,7 @@
 #include <cmath>
 #include <cstdio>
 #include <cstdlib>
+#include <cstring>
 #include "pair_lj_class2_coul_cut.h"
 #include "atom.h"
 #include "comm.h"
@@ -466,3 +467,16 @@ double PairLJClass2CoulCut::single(int i, int j, int itype, int jtype,
 
   return eng;
 }
+
+/* ---------------------------------------------------------------------- */
+
+void *PairLJClass2CoulCut::extract(const char *str, int &dim)
+{
+  dim = 0;
+  if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
+  dim = 2;
+  if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
+  if (strcmp(str,"sigma") == 0) return (void *) sigma;
+  return NULL;
+}
+

src/CLASS2/pair_lj_class2_coul_cut.h

@@ -40,6 +40,7 @@ class PairLJClass2CoulCut : public Pair {
   void write_data(FILE *);
   void write_data_all(FILE *);
   double single(int, int, int, int, double, double, double, double &);
+  void *extract(const char *, int &);
 
  protected:
   double cut_lj_global,cut_coul_global;

src/CLASS2/pair_lj_class2_coul_long.cpp

@@ -549,5 +549,8 @@ void *PairLJClass2CoulLong::extract(const char *str, int &dim)
 {
   dim = 0;
   if (strcmp(str,"cut_coul") == 0) return (void *) &cut_coul;
+  dim = 2;
+  if (strcmp(str,"epsilon") == 0) return (void *) epsilon;
+  if (strcmp(str,"sigma") == 0) return (void *) sigma;
   return NULL;
 }