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