105 |
|
|
106 |
|
currSample = sampleTime + currentSnapshot_->getTime(); |
107 |
|
currStatus = statusTime + currentSnapshot_->getTime();; |
108 |
< |
currThermal = thermalTime + + currentSnapshot_->getTime(); |
108 |
> |
currThermal = thermalTime + currentSnapshot_->getTime(); |
109 |
> |
if (needReset) { |
110 |
> |
currReset = resetTime + currentSnapshot_->getTime(); |
111 |
> |
} |
112 |
|
needPotential = false; |
113 |
|
needStress = false; |
114 |
|
|
178 |
|
needStress = false; |
179 |
|
currStatus += statusTime; |
180 |
|
} |
181 |
+ |
|
182 |
+ |
if (needReset && currentSnapshot_->getTime() >= currReset) { |
183 |
+ |
resetIntegrator(); |
184 |
+ |
currReset += resetTime; |
185 |
+ |
} |
186 |
|
|
179 |
– |
|
187 |
|
} |
188 |
|
|
189 |
|
|
222 |
|
} |
223 |
|
|
224 |
|
StatWriter* VelocityVerletIntegrator::createStatWriter() { |
225 |
+ |
|
226 |
+ |
std::string statFileFormatString = simParams->getStatFileFormat(); |
227 |
+ |
StatsBitSet mask = parseStatFileFormat(statFileFormatString); |
228 |
+ |
|
229 |
|
// if solidThermInt is true, add extra information to the statfile |
230 |
|
if (simParams->getUseSolidThermInt()){ |
220 |
– |
StatsBitSet mask; |
221 |
– |
mask.set(Stats::TIME); |
222 |
– |
mask.set(Stats::TOTAL_ENERGY); |
223 |
– |
mask.set(Stats::POTENTIAL_ENERGY); |
224 |
– |
mask.set(Stats::KINETIC_ENERGY); |
225 |
– |
mask.set(Stats::TEMPERATURE); |
226 |
– |
mask.set(Stats::PRESSURE); |
227 |
– |
mask.set(Stats::VOLUME); |
228 |
– |
mask.set(Stats::CONSERVED_QUANTITY); |
231 |
|
mask.set(Stats::VRAW); |
232 |
|
mask.set(Stats::VHARM); |
231 |
– |
return new StatWriter(info_->getStatFileName(), mask); |
233 |
|
} |
234 |
|
|
235 |
< |
if (simParams->havePrintPresureTensor() && simParams->getPrintPressureTensor()){ |
235 |
< |
mask.set(Stats::TIME); |
236 |
< |
mask.set(Stats::TOTAL_ENERGY); |
237 |
< |
mask.set(Stats::POTENTIAL_ENERGY); |
238 |
< |
mask.set(Stats::KINETIC_ENERGY); |
239 |
< |
mask.set(Stats::TEMPERATURE); |
240 |
< |
mask.set(Stats::PRESSURE); |
241 |
< |
mask.set(Stats::VOLUME); |
242 |
< |
mask.set(Stats::CONSERVED_QUANTITY); |
235 |
> |
if (simParams->havePrintPressureTensor() && simParams->getPrintPressureTensor()){ |
236 |
|
mask.set(Stats::PRESSURE_TENSOR_X); |
237 |
|
mask.set(Stats::PRESSURE_TENSOR_Y); |
238 |
|
mask.set(Stats::PRESSURE_TENSOR_Z); |
246 |
– |
return new StatWriter(info_->getStatFileName(), mask); |
239 |
|
} |
240 |
|
|
241 |
< |
return new StatWriter(info_->getStatFileName()); |
241 |
> |
return new StatWriter(info_->getStatFileName(), mask); |
242 |
|
} |
243 |
|
|
244 |
|
RestWriter* VelocityVerletIntegrator::createRestWriter(){ |