git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8908 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/CLASS2/pair_lj_class2.cpp

@@ -326,6 +326,7 @@ void PairLJClass2::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -339,10 +340,12 @@ void PairLJClass2::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/CLASS2/pair_lj_class2_coul_cut.cpp

@@ -383,6 +383,7 @@ void PairLJClass2CoulCut::write_restart_settings(FILE *fp)
   fwrite(&cut_coul_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -396,11 +397,13 @@ void PairLJClass2CoulCut::read_restart_settings(FILE *fp)
     fread(&cut_coul_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/CLASS2/pair_lj_class2_coul_long.cpp

@@ -399,6 +399,7 @@ void PairLJClass2CoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -412,11 +413,13 @@ void PairLJClass2CoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/KSPACE/pair_buck_coul_long.cpp

@@ -398,6 +398,7 @@ void PairBuckCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -411,11 +412,13 @@ void PairBuckCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/KSPACE/pair_buck_long_coul_long.cpp

@@ -411,6 +411,8 @@ void PairBuckLongCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
   fwrite(&ewald_order,sizeof(int),1,fp);
 }
 
@@ -425,12 +427,16 @@ void PairBuckLongCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
     fread(&ewald_order,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_buck_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&ewald_order,1,MPI_INT,0,world);
 }
 

src/KSPACE/pair_coul_long.cpp

@@ -469,6 +469,8 @@ void PairCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -481,10 +483,14 @@ void PairCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/KSPACE/pair_coul_msm.cpp

@@ -150,7 +150,6 @@ void PairCoulMSM::compute(int eflag, int vflag)
 }
 
 /* ----------------------------------------------------------------------
-
    setup force tables used in compute routines
 ------------------------------------------------------------------------- */
 

src/KSPACE/pair_lj_charmm_coul_long.cpp

@@ -1061,6 +1061,8 @@ void PairLJCharmmCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -1075,12 +1077,16 @@ void PairLJCharmmCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
   MPI_Bcast(&cut_lj_inner,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_lj,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/KSPACE/pair_lj_cut_coul_long.cpp

@@ -1020,6 +1020,9 @@ void PairLJCutCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -1033,11 +1036,17 @@ void PairLJCutCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/KSPACE/pair_lj_cut_tip4p_long.cpp

@@ -509,6 +509,9 @@ void PairLJCutTIP4PLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -528,6 +531,9 @@ void PairLJCutTIP4PLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
 
   MPI_Bcast(&typeO,1,MPI_INT,0,world);
@@ -540,7 +546,9 @@ void PairLJCutTIP4PLong::read_restart_settings(FILE *fp)
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
-
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/KSPACE/pair_lj_long_coul_long.cpp

@@ -412,6 +412,8 @@ void PairLJLongCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
   fwrite(&ewald_order,sizeof(int),1,fp);
 }
 
@@ -426,12 +428,16 @@ void PairLJLongCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
     fread(&ewald_order,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&ewald_order,1,MPI_INT,0,world);
 }
 

src/KSPACE/pair_lj_long_tip4p_long.cpp

@@ -541,6 +541,8 @@ void PairLJLongTIP4PLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -560,6 +562,8 @@ void PairLJLongTIP4PLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
 
   MPI_Bcast(&typeO,1,MPI_INT,0,world);
@@ -572,7 +576,8 @@ void PairLJLongTIP4PLong::read_restart_settings(FILE *fp)
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
-
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/USER-CG-CMM/pair_cg_cmm_coul_long.cpp

@@ -408,6 +408,9 @@ void PairCGCMMCoulLong::compute_outer(int eflag, int vflag)
 void PairCGCMMCoulLong::write_restart(FILE *fp)
 {
   write_restart_settings(fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
+
   PairCMMCommon::write_restart(fp);
 }
 
@@ -416,6 +419,14 @@ void PairCGCMMCoulLong::write_restart(FILE *fp)
 void PairCGCMMCoulLong::read_restart(FILE *fp)
 {
   read_restart_settings(fp);
+
+  if (comm->me == 0) {
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
+  }
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
+
   allocate();
   PairCMMCommon::read_restart(fp);
 }

src/USER-CG-CMM/pair_cmm_common.cpp

@@ -390,6 +390,7 @@ void PairCMMCommon::write_restart_settings(FILE *fp)
   fwrite(&kappa,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -405,12 +406,14 @@ void PairCMMCommon::read_restart_settings(FILE *fp)
     fread(&kappa,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&kappa,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
   cut_coulsq_global = cut_coul_global*cut_coul_global;
 }
 

src/USER-CG-CMM/pair_lj_sdk.cpp

@@ -406,6 +406,7 @@ void PairLJSDK::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -419,10 +420,12 @@ void PairLJSDK::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp

@@ -188,7 +188,8 @@ void PairLJSDKCoulLong::eval()
             fraction = (rsq_lookup.f - rtable[itable]) * drtable[itable];
             table = ftable[itable] + fraction*dftable[itable];
             forcecoul = qtmp*q[j] * table;
-            if (EFLAG) ecoul = qtmp*q[j] * (etable[itable] + fraction*detable[itable]);
+            if (EFLAG) ecoul = qtmp*q[j] * 
+                         (etable[itable] + fraction*detable[itable]);
             if (factor_coul < 1.0) {
               table = ctable[itable] + fraction*dctable[itable];
               prefactor = qtmp*q[j] * table;
@@ -316,7 +317,8 @@ void PairLJSDKCoulLong::settings(int narg, char **arg)
 
 void PairLJSDKCoulLong::coeff(int narg, char **arg)
 {
-  if (narg < 5 || narg > 6) error->all(FLERR,"Incorrect args for pair coefficients");
+  if (narg < 5 || narg > 6) 
+    error->all(FLERR,"Incorrect args for pair coefficients");
   if (!allocated) allocate();
 
   int ilo,ihi,jlo,jhi;
@@ -604,6 +606,9 @@ void PairLJSDKCoulLong::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
+  fwrite(&ncoultablebits,sizeof(int),1,fp);
+  fwrite(&tabinner,sizeof(double),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -617,11 +622,17 @@ void PairLJSDKCoulLong::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
+    fread(&ncoultablebits,sizeof(int),1,fp);
+    fread(&tabinner,sizeof(double),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&ncoultablebits,1,MPI_INT,0,world);
+  MPI_Bcast(&tabinner,1,MPI_DOUBLE,0,world);
 }
 
 /* ----------------------------------------------------------------------

src/pair_born.cpp

@@ -358,6 +358,7 @@ void PairBorn::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -370,10 +371,12 @@ void PairBorn::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_buck.cpp

@@ -329,6 +329,7 @@ void PairBuck::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -341,10 +342,12 @@ void PairBuck::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_buck_coul_cut.cpp

@@ -388,6 +388,7 @@ void PairBuckCoulCut::write_restart_settings(FILE *fp)
   fwrite(&cut_coul_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -401,11 +402,13 @@ void PairBuckCoulCut::read_restart_settings(FILE *fp)
     fread(&cut_coul_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj96_cut.cpp

@@ -663,6 +663,7 @@ void PairLJ96Cut::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -676,10 +677,12 @@ void PairLJ96Cut::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut.cpp

@@ -657,6 +657,7 @@ void PairLJCut::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -670,10 +671,12 @@ void PairLJCut::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut_coul_cut.cpp

@@ -377,6 +377,7 @@ void PairLJCutCoulCut::write_restart_settings(FILE *fp)
   fwrite(&cut_coul_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -390,11 +391,13 @@ void PairLJCutCoulCut::read_restart_settings(FILE *fp)
     fread(&cut_coul_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_cut_coul_dsf.cpp

@@ -395,6 +395,7 @@ void PairLJCutCoulDSF::write_restart_settings(FILE *fp)
   fwrite(&cut_coul,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -409,12 +410,14 @@ void PairLJCutCoulDSF::read_restart_settings(FILE *fp)
     fread(&cut_coul,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&alpha,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */

src/pair_lj_expand.cpp

@@ -349,6 +349,7 @@ void PairLJExpand::write_restart_settings(FILE *fp)
   fwrite(&cut_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
+  fwrite(&tail_flag,sizeof(int),1,fp);
 }
 
 /* ----------------------------------------------------------------------
@@ -361,10 +362,12 @@ void PairLJExpand::read_restart_settings(FILE *fp)
     fread(&cut_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
+    fread(&tail_flag,sizeof(int),1,fp);
   }
   MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world);
+  MPI_Bcast(&tail_flag,1,MPI_INT,0,world);
 }
 
 /* ---------------------------------------------------------------------- */