| 50 |
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namespace oopse { |
| 51 |
|
|
| 52 |
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LDForceManager::LDForceManager(SimInfo* info) : ForceManager(info){ |
| 53 |
< |
Globals* simParams = info->getSimParams(); |
| 54 |
< |
|
| 53 |
> |
simParams = info->getSimParams(); |
| 54 |
> |
veloMunge = new Velocitizer(info); |
| 55 |
> |
|
| 56 |
|
sphericalBoundaryConditions_ = false; |
| 57 |
|
if (simParams->getUseSphericalBoundaryConditions()) { |
| 58 |
|
sphericalBoundaryConditions_ = true; |
| 263 |
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bool doLangevinForces; |
| 264 |
|
bool freezeMolecule; |
| 265 |
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int fdf; |
| 266 |
< |
|
| 266 |
> |
|
| 267 |
> |
|
| 268 |
|
fdf = 0; |
| 269 |
|
for (mol = info_->beginMolecule(i); mol != NULL; mol = info_->nextMolecule(i)) { |
| 270 |
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|
| 353 |
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} |
| 354 |
|
} |
| 355 |
|
info_->setFdf(fdf); |
| 356 |
< |
|
| 356 |
> |
|
| 357 |
> |
veloMunge->removeComDrift(); |
| 358 |
> |
// Remove angular drift if we are not using periodic boundary conditions. |
| 359 |
> |
if(!simParams->getUsePeriodicBoundaryConditions()) |
| 360 |
> |
veloMunge->removeAngularDrift(); |
| 361 |
> |
|
| 362 |
|
ForceManager::postCalculation(); |
| 363 |
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} |
| 364 |
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|
