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root/group/trunk/OOPSE/libmdtools/StatWriter.cpp
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Comparing trunk/OOPSE/libmdtools/StatWriter.cpp (file contents):
Revision 1207 by chrisfen, Thu May 27 20:06:38 2004 UTC vs.
Revision 1213 by chrisfen, Tue Jun 1 18:07:34 2004 UTC

# Line 36 | Line 36 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
36      //outFile.setf( ios::scientific );
37      outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\tpressure\tvolume\tconserved quantity\n";
38      
39 <    if (entry_plug->useThermInt) {
39 >    if (entry_plug->useSolidThermInt && !entry_plug->useLiquidThermInt) {
40        rawFile.open(rawName, ios::out | ios::trunc );
41        
42        if( !rawFile ){
# Line 51 | Line 51 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
51        rawFile << "#time(fs)\tRaw Pot\t Raw Harm\n";
52      }
53  
54 +    if (entry_plug->useLiquidThermInt) {
55 +      rawFile.open(rawName, ios::out | ios::trunc );
56 +      
57 +      if( !rawFile ){
58 +        
59 +        sprintf( painCave.errMsg,
60 +                 "Could not open \"%s\" for stat output.\n",
61 +                 rawName);
62 +        painCave.isFatal = 1;
63 +        simError();
64 +      }
65 +      
66 +      rawFile << "#time(fs)\tRaw Pot\n";
67 +    }
68 +
69   #ifdef IS_MPI
70    }
71  

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