| 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 |
|
|
| 135 |
|
|
| 136 |
|
|
| 137 |
|
void VelocityVerletIntegrator::preStep() { |
| 138 |
< |
double difference = currentSnapshot_->getTime() + dt - currStatus; |
| 138 |
> |
RealType difference = currentSnapshot_->getTime() + dt - currStatus; |
| 139 |
|
|
| 140 |
|
if (difference > 0 || fabs(difference) < oopse::epsilon) { |
| 141 |
|
needPotential = true; |
| 142 |
|
needStress = true; |
| 143 |
|
} |
| 141 |
– |
|
| 144 |
|
} |
| 145 |
|
|
| 146 |
|
void VelocityVerletIntegrator::postStep() { |
| 147 |
< |
|
| 147 |
> |
|
| 148 |
|
//save snapshot |
| 149 |
|
info_->getSnapshotManager()->advance(); |
| 150 |
|
|
| 177 |
|
needStress = false; |
| 178 |
|
currStatus += statusTime; |
| 179 |
|
} |
| 180 |
+ |
|
| 181 |
+ |
if (needReset && currentSnapshot_->getTime() >= currReset) { |
| 182 |
+ |
resetIntegrator(); |
| 183 |
+ |
currReset += resetTime; |
| 184 |
+ |
} |
| 185 |
|
|
| 179 |
– |
|
| 186 |
|
} |
| 187 |
|
|
| 188 |
|
|
| 221 |
|
} |
| 222 |
|
|
| 223 |
|
StatWriter* VelocityVerletIntegrator::createStatWriter() { |
| 224 |
+ |
|
| 225 |
+ |
std::string statFileFormatString = simParams->getStatFileFormat(); |
| 226 |
+ |
StatsBitSet mask = parseStatFileFormat(statFileFormatString); |
| 227 |
+ |
|
| 228 |
|
// if solidThermInt is true, add extra information to the statfile |
| 229 |
|
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); |
| 230 |
|
mask.set(Stats::VRAW); |
| 231 |
|
mask.set(Stats::VHARM); |
| 231 |
– |
return new StatWriter(info_->getStatFileName(), mask); |
| 232 |
|
} |
| 233 |
< |
|
| 234 |
< |
return new StatWriter(info_->getStatFileName()); |
| 233 |
> |
|
| 234 |
> |
if (simParams->havePrintPressureTensor() && simParams->getPrintPressureTensor()){ |
| 235 |
> |
mask.set(Stats::PRESSURE_TENSOR_X); |
| 236 |
> |
mask.set(Stats::PRESSURE_TENSOR_Y); |
| 237 |
> |
mask.set(Stats::PRESSURE_TENSOR_Z); |
| 238 |
> |
} |
| 239 |
> |
|
| 240 |
> |
return new StatWriter(info_->getStatFileName(), mask); |
| 241 |
|
} |
| 242 |
|
|
| 243 |
|
RestWriter* VelocityVerletIntegrator::createRestWriter(){ |
