git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/KSPACE/pair_lj_cut_coul_long.cpp

@@ -977,5 +977,6 @@ void *PairLJCutCoulLong::extract(const char *str, int &dim)
   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/KSPACE/pair_lj_cut_coul_msm.cpp

@@ -488,5 +488,6 @@ void *PairLJCutCoulMSM::extract(const char *str, int &dim)
   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/KSPACE/pair_lj_cut_tip4p_long.cpp

@@ -586,6 +586,9 @@ void *PairLJCutTIP4PLong::extract(const char *str, int &dim)
   if (strcmp(str,"typeA") == 0) return (void *) &typeA;
   if (strcmp(str,"typeB") == 0) return (void *) &typeB;
   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/MOLECULE/pair_lj_cut_tip4p_cut.cpp

@@ -17,6 +17,7 @@
 
 #include "math.h"
 #include "stdlib.h"
+#include "string.h"
 #include "pair_lj_cut_tip4p_cut.h"
 #include "atom.h"
 #include "force.h"
@@ -722,6 +723,17 @@ void PairLJCutTIP4PCut::compute_newsite(double *xO,  double *xH1,
   xM[2] = xO[2] + alpha * 0.5 * (delz1 + delz2);
 }
 
+/* ---------------------------------------------------------------------- */
+
+void *PairLJCutTIP4PCut::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;
+}
 /* ----------------------------------------------------------------------
    memory usage of hneigh
 ------------------------------------------------------------------------- */

src/MOLECULE/pair_lj_cut_tip4p_cut.h

@@ -39,6 +39,7 @@ class PairLJCutTIP4PCut : public Pair {
   void read_restart(FILE *);
   void write_data(FILE *);
   void write_data_all(FILE *);
+  void *extract(const char *, int &);
   double memory_usage();
 
  protected:

src/comm_tiled.cpp

@@ -331,6 +331,8 @@ void CommTiled::forward_comm_array(int n, double **array)
 
 int CommTiled::exchange_variable(int n, double *inbuf, double *&outbuf)
 {
+  int nrecv = n;
+  return nrecv;
 }
 
 /* ----------------------------------------------------------------------

src/fix_nh.cpp

@@ -1646,6 +1646,12 @@ void *FixNH::extract(const char *str, int &dim)
   dim=0;
   if (strcmp(str,"t_target") == 0) {
     return &t_target;
+  } else if (strcmp(str,"mtchain") == 0) {
+    return &mtchain;
+  }
+  dim=1;
+  if (strcmp(str,"eta") == 0) {
+    return η
   }
   return NULL;
 }

src/pair_lj_cut_coul_cut.cpp

@@ -466,5 +466,6 @@ void *PairLJCutCoulCut::extract(const char *str, int &dim)
   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;
 }