ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/group/trunk/mdtools/md_code/StatWriter.cpp
(Generate patch)

Comparing trunk/mdtools/md_code/StatWriter.cpp (file contents):
Revision 260 by chuckv, Fri Jan 31 21:04:27 2003 UTC vs.
Revision 261 by chuckv, Mon Feb 3 21:15:59 2003 UTC

# Line 8 | Line 8 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
8  
9   StatWriter::StatWriter( SimInfo* the_entry_plug ){
10  
11 +  entry_plug = the_entry_plug;
12 +
13   #ifdef IS_MPI
14    if(worldRank == 0 ){
15   #endif // is_mpi
16  
15 –    entry_plug = the_entry_plug;
16 –    
17      strcpy( outName, entry_plug->statusName );
18      
19      std::cerr << "Opening " << outName << " for stat\n";
# Line 32 | Line 32 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
32      //outFile.setf( ios::scientific );
33      outFile << "#time(fs)\ttot_E\tpotential\tkinetic\ttemperature\n";
34      
35 <    tStats = new Thermo( entry_plug );
35 >
36  
37   #ifdef IS_MPI
38    }
# Line 41 | Line 41 | StatWriter::StatWriter( SimInfo* the_entry_plug ){
41             "Sucessfully opened output file for stating.\n");
42    MPIcheckPoint();
43   #endif // is_mpi
44 +
45 +  tStats = new Thermo( entry_plug );
46   }
47  
48   StatWriter::~StatWriter( ){
# Line 59 | Line 61 | void StatWriter::writeStat( double currentTime ){
61  
62   void StatWriter::writeStat( double currentTime ){
63  
64 +  double totE, potE, kinE, temp;
65 +
66 +  totE = tStats->getTotalE();
67 +  potE = tStats->getPotential();
68 +  kinE = tStats->getKinetic();
69 +  temp = tStats->getTemperature();
70 +
71   #ifdef IS_MPI
72    if(worldRank == 0 ){
73   #endif // is_mpi
# Line 66 | Line 75 | void StatWriter::writeStat( double currentTime ){
75      outFile.precision(8);
76      outFile
77        << currentTime << "\t"
78 <      << tStats->getTotalE() << "\t"
79 <      << tStats->getPotential() << "\t"
80 <      << tStats->getKinetic() << "\t"
81 <      << tStats->getTemperature() << "\n";
78 >      << totE << "\t"
79 >      << potE << "\t"
80 >      << kinE << "\t"
81 >      << temp << "\n";
82      outFile.flush();
83  
84   #ifdef IS_MPI

Diff Legend

– Removed lines
+ Added lines
< Changed lines
> Changed lines