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root/group/trunk/mdtools/md_code/StatWriter.cpp
Revision: 10
Committed: Tue Jul 9 18:40:59 2002 UTC (22 years ago) by mmeineke
Original Path: branches/mmeineke/mdtools/md_code/StatWriter.cpp
File size: 882 byte(s)
Log Message:
everything you need to make libmdtools

File Contents

# User Rev Content
1 mmeineke 10 #include <cstring>
2     #include <iostream>
3     #include <fstream>
4    
5     #include "ReadWrite.hpp"
6    
7    
8     StatWriter::StatWriter( SimInfo* the_entry_plug ){
9    
10     entry_plug = the_entry_plug;
11    
12     strcpy( outName, entry_plug->statusName );
13     outFile.open(outName, ios::out | ios::trunc );
14    
15     if( !outFile ){
16    
17     cerr << "Could not open \"" << outName << "\" for stat output.\n";
18     exit(8);
19     }
20    
21     //outFile.setf( ios::scientific );
22     outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n";
23    
24     tStats = new Thermo( entry_plug );
25     }
26    
27     StatWriter::~StatWriter( ){
28    
29     outFile.close();
30     delete tStats;
31     }
32    
33     void StatWriter::writeStat( double currentTime ){
34    
35     outFile.precision(8);
36     outFile
37     << currentTime << "\t"
38     << tStats->getTotalE() << "\t"
39     << tStats->getPotential() << "\t"
40     << tStats->getKinetic() << "\t"
41     << tStats->getTemperature() << "\n";
42     outFile.flush();
43     }