ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/trunk/src/rnemd/RNEMD.cpp
(Generate patch)

Comparing:
branches/development/src/rnemd/RNEMD.cpp (file contents), Revision 1777 by gezelter, Thu Aug 9 18:35:09 2012 UTC vs.
trunk/src/rnemd/RNEMD.cpp (file contents), Revision 1789 by gezelter, Wed Aug 29 20:52:19 2012 UTC

# Line 53 | Line 53
53   #include <mpi.h>
54   #endif
55  
56 + #ifdef _MSC_VER
57 + #define isnan(x) _isnan((x))
58 + #define isinf(x) (!_finite(x) && !_isnan(x))
59 + #endif
60 +
61   #define HONKING_LARGE_VALUE 1.0e10
62  
63   using namespace std;
# Line 65 | Line 70 | namespace OpenMD {
70      failTrialCount_ = 0;
71      failRootCount_ = 0;
72  
68 –    int seedValue;
73      Globals * simParams = info->getSimParams();
74      RNEMDParameters* rnemdParams = simParams->getRNEMDParameters();
75  
# Line 305 | Line 309 | namespace OpenMD {
309      z.title =  "Z";
310      z.dataType = "RealType";
311      z.accumulator.reserve(nBins_);
312 <    for (unsigned int i = 0; i < nBins_; i++)
312 >    for (int i = 0; i < nBins_; i++)
313        z.accumulator.push_back( new Accumulator() );
314      data_[Z] = z;
315      outputMap_["Z"] =  Z;
# Line 315 | Line 319 | namespace OpenMD {
319      temperature.title =  "Temperature";
320      temperature.dataType = "RealType";
321      temperature.accumulator.reserve(nBins_);
322 <    for (unsigned int i = 0; i < nBins_; i++)
322 >    for (int i = 0; i < nBins_; i++)
323        temperature.accumulator.push_back( new Accumulator() );
324      data_[TEMPERATURE] = temperature;
325      outputMap_["TEMPERATURE"] =  TEMPERATURE;
# Line 325 | Line 329 | namespace OpenMD {
329      velocity.title =  "Velocity";  
330      velocity.dataType = "Vector3d";
331      velocity.accumulator.reserve(nBins_);
332 <    for (unsigned int i = 0; i < nBins_; i++)
332 >    for (int i = 0; i < nBins_; i++)
333        velocity.accumulator.push_back( new VectorAccumulator() );
334      data_[VELOCITY] = velocity;
335      outputMap_["VELOCITY"] = VELOCITY;
# Line 335 | Line 339 | namespace OpenMD {
339      density.title =  "Density";
340      density.dataType = "RealType";
341      density.accumulator.reserve(nBins_);
342 <    for (unsigned int i = 0; i < nBins_; i++)
342 >    for (int i = 0; i < nBins_; i++)
343        density.accumulator.push_back( new Accumulator() );
344      data_[DENSITY] = density;
345      outputMap_["DENSITY"] =  DENSITY;
# Line 1681 | Line 1685 | namespace OpenMD {
1685        
1686        rnemdFile_.precision(8);
1687        
1688 <      for (unsigned int j = 0; j < nBins_; j++) {        
1688 >      for (int j = 0; j < nBins_; j++) {        
1689          
1690          for (unsigned int i = 0; i < outputMask_.size(); ++i) {
1691            if (outputMask_[i]) {
# Line 1707 | Line 1711 | namespace OpenMD {
1711        rnemdFile_ << "#######################################################\n";
1712  
1713  
1714 <      for (unsigned int j = 0; j < nBins_; j++) {        
1714 >      for (int j = 0; j < nBins_; j++) {        
1715          rnemdFile_ << "#";
1716          for (unsigned int i = 0; i < outputMask_.size(); ++i) {
1717            if (outputMask_[i]) {

Diff Legend

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