git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2748 f3b2605a-c512-4ea7-a41b-209d697bcdaa

src/fix_ttm.cpp

@@ -90,7 +90,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
   if (gamma_p <= 0.0) error->all("Fix ttm gamma_p must be > 0.0");
   if (gamma_s < 0.0) error->all("Fix ttm gamma_s must be >= 0.0");
   if (v_0 < 0.0) error->all("Fix ttm v_0 must be >= 0.0");
-  if (nxnodes <= 0 or nynodes <= 0 or nznodes <= 0)
+  if (nxnodes <= 0 || nynodes <= 0 || nznodes <= 0)
     error->all("Fix ttm number of nodes must be > 0");
 
   v_0_sq = v_0*v_0;

src/output.cpp

@@ -363,6 +363,12 @@ void Output::create_thermo(int narg, char **arg)
   if (domain->box_exist == 0) 
     error->all("Thermo_style command before simulation box is defined");
 
+  // warn if previous thermo had been modified via thermo_modify command
+
+  if (thermo->modified && comm->me == 0)
+    error->warning("New thermo_style command, "
+		   "previous thermo_modify settings will be lost");
+
   // set thermo = NULL in case new Thermo throws an error
 
   delete thermo;

src/thermo.cpp

@@ -73,6 +73,7 @@ Thermo::Thermo(LAMMPS *lmp, int narg, char **arg) : Pointers(lmp)
 
   // set thermo_modify defaults
 
+  modified = 0;
   normuserflag = 0;
   lineflag = ONELINE;
   lostflag = ERROR;
@@ -358,6 +359,8 @@ void Thermo::modify_params(int narg, char **arg)
 {
   if (narg == 0) error->all("Illegal thermo_modify command");
 
+  modified = 1;
+
   int iarg = 0;
   while (iarg < narg) {
     if (strcmp(arg[iarg],"temp") == 0) {

src/thermo.h

@@ -25,6 +25,7 @@ class Thermo : protected Pointers {
  public:
   char *style;
   int normflag;          // 0 if do not normalize by atoms, 1 if normalize
+  int modified;          // 1 if thermo_modify has been used, else 0
 
   Thermo(class LAMMPS *, int, char **);
   ~Thermo();