--- branches/mmeineke/OOPSE/libmdtools/StatWriter.cpp	2003/03/21 17:42:12	377
+++ trunk/OOPSE/libmdtools/StatWriter.cpp	2004/06/02 14:56:18	1221
@@ -1,4 +1,7 @@
-#include <cstring>
+#define _LARGEFILE_SOURCE64
+#define _FILE_OFFSET_BITS 64
+
+#include <string.h>
 #include <iostream>
 #include <fstream>
 
@@ -15,9 +18,9 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){
 #endif // is_mpi
 
     strcpy( outName, entry_plug->statusName );
-    
-    std::cerr << "Opening " << outName << " for stat\n";
 
+    //std::cerr << "Opening " << outName << " for stat\n";
+
     outFile.open(outName, ios::out | ios::trunc );
     
     if( !outFile ){
@@ -28,12 +31,19 @@ StatWriter::StatWriter( SimInfo* the_entry_plug ){
       painCave.isFatal = 1;
       simError();
     }
-    
+
     //outFile.setf( ios::scientific );
-    outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\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
   }
 
@@ -61,12 +71,16 @@ void StatWriter::writeStat( double currentTime ){
 
 void StatWriter::writeStat( double currentTime ){
 
-  double totE, potE, kinE, temp;
+  double totE, potE, kinE, temp, press, vol;
+  double conservedQuantity;
 
   totE = tStats->getTotalE();
   potE = tStats->getPotential();
   kinE = tStats->getKinetic();
   temp = tStats->getTemperature();
+  press = tStats->getPressure();
+  vol = tStats->getVolume();
+  conservedQuantity = entry_plug->the_integrator->getConservedQuantity();
 
 #ifdef IS_MPI
   if(worldRank == 0 ){
@@ -78,10 +92,23 @@ void StatWriter::writeStat( double currentTime ){
       << totE << "\t"
       << potE << "\t"
       << kinE << "\t"
-      << temp << "\n";
+      << temp << "\t"
+      << press << "\t"
+      << vol << "\t"
+      << 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
 }
+