| 1521 |
|
den = binMass[i] * nBins_ * PhysicalConstants::densityConvert |
| 1522 |
|
/ currentSnap_->getVolume() ; |
| 1523 |
|
|
| 1524 |
< |
temp = 2.0 * binKE[i] / (binDOF[i] * PhysicalConstants::kb * |
| 1525 |
< |
PhysicalConstants::energyConvert); |
| 1526 |
< |
|
| 1527 |
< |
for (unsigned int j = 0; j < outputMask_.size(); ++j) { |
| 1528 |
< |
if(outputMask_[j]) { |
| 1529 |
< |
switch(j) { |
| 1530 |
< |
case Z: |
| 1531 |
< |
(data_[j].accumulator[i])->add(z); |
| 1532 |
< |
break; |
| 1533 |
< |
case TEMPERATURE: |
| 1534 |
< |
data_[j].accumulator[i]->add(temp); |
| 1535 |
< |
break; |
| 1536 |
< |
case VELOCITY: |
| 1537 |
< |
dynamic_cast<VectorAccumulator *>(data_[j].accumulator[i])->add(vel); |
| 1538 |
< |
break; |
| 1539 |
< |
case DENSITY: |
| 1540 |
< |
data_[j].accumulator[i]->add(den); |
| 1541 |
< |
break; |
| 1524 |
> |
if (binCount[i] > 0) { |
| 1525 |
> |
// only add values if there are things to add |
| 1526 |
> |
temp = 2.0 * binKE[i] / (binDOF[i] * PhysicalConstants::kb * |
| 1527 |
> |
PhysicalConstants::energyConvert); |
| 1528 |
> |
|
| 1529 |
> |
for (unsigned int j = 0; j < outputMask_.size(); ++j) { |
| 1530 |
> |
if(outputMask_[j]) { |
| 1531 |
> |
switch(j) { |
| 1532 |
> |
case Z: |
| 1533 |
> |
dynamic_cast<Accumulator *>(data_[j].accumulator[i])->add(z); |
| 1534 |
> |
break; |
| 1535 |
> |
case TEMPERATURE: |
| 1536 |
> |
dynamic_cast<Accumulator *>(data_[j].accumulator[i])->add(temp); |
| 1537 |
> |
break; |
| 1538 |
> |
case VELOCITY: |
| 1539 |
> |
dynamic_cast<VectorAccumulator *>(data_[j].accumulator[i])->add(vel); |
| 1540 |
> |
break; |
| 1541 |
> |
case DENSITY: |
| 1542 |
> |
dynamic_cast<Accumulator *>(data_[j].accumulator[i])->add(den); |
| 1543 |
> |
break; |
| 1544 |
> |
} |
| 1545 |
|
} |
| 1546 |
|
} |
| 1547 |
|
} |
