ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/integrators/VelocityVerletIntegrator.cpp
(Generate patch)

Comparing trunk/src/integrators/VelocityVerletIntegrator.cpp (file contents):
Revision 246 by gezelter, Wed Jan 12 22:41:40 2005 UTC vs.
Revision 276 by tim, Wed Jan 26 15:26:47 2005 UTC

# Line 49 | Line 49
49  
50   #include "integrators/VelocityVerletIntegrator.hpp"
51   #include "integrators/DLM.hpp"
52 + #include "utils/StringUtils.hpp"
53  
54   namespace oopse {
55   VelocityVerletIntegrator::VelocityVerletIntegrator(SimInfo *info) : Integrator(info), rotAlgo(NULL) {
# Line 86 | Line 87 | void VelocityVerletIntegrator::initialize(){
87      }
88      
89      dumpWriter = createDumpWriter();
90 +    eorWriter = createEorWriter();
91      statWriter = createStatWriter();
92  
93      dumpWriter->writeDump();
94 <
94 >    eorWriter->writeDump();
95 >    
96      //save statistics, before writeStat,  we must save statistics
97      thermo.saveStat();
98      saveConservedQuantity();
# Line 150 | Line 153 | void VelocityVerletIntegrator::postStep() {
153  
154          if (currentSnapshot_->getTime() >= currSample) {
155              dumpWriter->writeDump();
156 +            eorWriter->writeDump();
157              currSample += sampleTime;
158          }
159  
# Line 171 | Line 175 | void VelocityVerletIntegrator::finalize() {
175   void VelocityVerletIntegrator::finalize() {
176  
177      dumpWriter->writeDump();
178 +    eorWriter->writeDump();
179  
180      delete dumpWriter;
181 +    delete eorWriter;
182      delete statWriter;
183  
184      dumpWriter = NULL;
185 +    eorWriter = NULL;
186      statWriter = NULL;
187      
188   }
# Line 197 | Line 204 | DumpWriter* VelocityVerletIntegrator::createDumpWriter
204      return new DumpWriter(info_, info_->getDumpFileName());
205   }
206  
207 + DumpWriter* VelocityVerletIntegrator::createEorWriter() {
208 +    return new DumpWriter(info_, getPrefix(info_->getDumpFileName()) + ".eor");
209 + }
210 +
211   StatWriter* VelocityVerletIntegrator::createStatWriter() {
212      return new StatWriter(info_->getStatFileName());
213   }

Diff Legend

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