--- trunk/OOPSE/libmdtools/StatWriter.cpp	2003/10/28 16:03:37	829
+++ trunk/OOPSE/libmdtools/StatWriter.cpp	2004/06/02 14:56:18	1221
@@ -1,3 +1,4 @@
+#define _LARGEFILE_SOURCE64
 #define _FILE_OFFSET_BITS 64
 
 #include <string.h>
@@ -17,7 +18,7 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){
 #endif // is_mpi
 
     strcpy( outName, entry_plug->statusName );
-    
+
     //std::cerr << "Opening " << outName << " for stat\n";
 
     outFile.open(outName, ios::out | ios::trunc );
@@ -30,12 +31,19 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){
       painCave.isFatal = 1;
       simError();
     }
-    
+
     //outFile.setf( ios::scientific );
-    outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tconserved quantity\n";
+    outFile << "#time(fs)\tE_tot\tV\tKE\tT(K)\tP(atm)\tVol(A^3)\tH_conserved";
+
+    if (entry_plug->useSolidThermInt || entry_plug->useLiquidThermInt)
+      outFile << "\tV_raw";
     
- 
+    if (entry_plug->useSolidThermInt) 
+      outFile << "\tV_harm";
 
+    outFile << "\n";
+
+    
 #ifdef IS_MPI
   }
 
@@ -73,6 +81,7 @@ void StatWriter::writeStat( double currentTime ){
   press = tStats->getPressure();
   vol = tStats->getVolume();
   conservedQuantity = entry_plug->the_integrator->getConservedQuantity();
+
 #ifdef IS_MPI
   if(worldRank == 0 ){
 #endif // is_mpi
@@ -86,11 +95,20 @@ void StatWriter::writeStat( double currentTime ){
       << temp << "\t"
       << press << "\t"
       << vol << "\t"
-      << conservedQuantity << "\n";
+      << conservedQuantity;
 
+    if (entry_plug->useSolidThermInt || entry_plug->useLiquidThermInt)
+      outFile << "\t" << entry_plug->vRaw;
+    
+    if (entry_plug->useSolidThermInt) 
+      outFile << "\t" << entry_plug->vHarm;
+
+    outFile << "\n";
+
     outFile.flush();
 
 #ifdef IS_MPI
   }
 #endif // is_mpi
 }
+