git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10804 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/MANYBODY/pair_tersoff_mod.h

@@ -10,6 +10,7 @@
 
    See the README file in the top-level LAMMPS directory.
 ------------------------------------------------------------------------- */
+
 #ifdef PAIR_CLASS
 
 PairStyle(tersoff/mod,PairTersoffMOD)

src/fix.cpp

@@ -66,6 +66,12 @@ Fix::Fix(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
   comm_forward = comm_reverse = comm_border = 0;
   restart_reset = 0;
 
+  // reasonable defaults
+  // however, each fix that uses these values should explicitly set them
+
+  nevery = 1;
+  
+
   maxvatom = 0;
   vatom = NULL;
 

src/fix_ave_correlate.cpp

@@ -55,6 +55,7 @@ FixAveCorrelate::FixAveCorrelate(LAMMPS * lmp, int narg, char **arg):
   nfreq = force->inumeric(FLERR,arg[5]);
 
   global_freq = nfreq;
+
   // parse values until one isn't recognized
 
   which = new int[narg-6];

src/fix_ave_spatial.cpp

@@ -17,6 +17,7 @@
 
 #include "stdlib.h"
 #include "string.h"
+#include "unistd.h"
 #include "fix_ave_spatial.h"
 #include "atom.h"
 #include "update.h"
@@ -824,6 +825,10 @@ void FixAveSpatial::end_of_step()
       }
 
     fflush(fp);
+    if (overwrite) {
+      long fileend = ftell(fp);
+      ftruncate(fileno(fp),fileend);
+    }
   }
 }
 

src/fix_ave_time.cpp

@@ -17,6 +17,7 @@
 
 #include "stdlib.h"
 #include "string.h"
+#include "unistd.h"
 #include "fix_ave_time.h"
 #include "update.h"
 #include "modify.h"
@@ -636,6 +637,10 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
     for (i = 0; i < nvalues; i++) fprintf(fp," %g",vector_total[i]/norm);
     fprintf(fp,"\n");
     fflush(fp);
+    if (overwrite) {
+      long fileend = ftell(fp);
+      ftruncate(fileno(fp),fileend);
+    }
   }
 }
 

src/pair_zbl.cpp

@@ -215,8 +215,8 @@ void PairZBL::coeff(int narg, char **arg)
 
   double z_one = force->numeric(FLERR,arg[2]);
 
-  // Set flag for each i-j pair
-  // Set z-parameter only for i-i pairs
+  // set flag for each i-j pair
+  // set z-parameter only for i-i pairs
 
   int count = 0;
   for (int i = ilo; i <= ihi; i++) {