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#include "utils/simError.h" |
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namespace oopse { |
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Integrator::Integrator(SimInfo* info) |
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< |
: info_(info), forceMan_(NULL) , needPotential(false), needStress(false), needReset(false), velocitizer_(NULL), |
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< |
needVelocityScaling(false), dumpWriter(NULL), statWriter(NULL), thermo(info), |
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> |
: info_(info), forceMan_(NULL) , needPotential(false), needStress(false), |
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> |
needReset(false), velocitizer_(NULL), needVelocityScaling(false), |
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> |
dumpWriter(NULL), statWriter(NULL), thermo(info), |
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currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) { |
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|
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simParams = info->getSimParams(); |
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resetTime = simParams->getResetTime(); |
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} |
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|
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< |
//create a default ForceManager |
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< |
//if the subclass wants to use a different ForceManager, use setForceManager |
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> |
// Create a default ForceManager: If the subclass wants to use |
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> |
// a different ForceManager, use setForceManager |
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forceMan_ = new ForceManager(info); |
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|
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– |
//set the force manager for thermodynamic integration if specified |
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– |
if (simParams->getUseSolidThermInt() || simParams->getUseLiquidThermInt()){ |
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ThermoIntegrationForceManager* thermoForce_ |
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– |
= new ThermoIntegrationForceManager(info); |
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setForceManager(thermoForce_); |
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} |
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– |
|
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// check for the temperature set flag (velocity scaling) |
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if (simParams->haveTempSet()) { |
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needVelocityScaling = simParams->getTempSet(); |
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} |
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} |
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|
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< |
//create a default a velocitizer |
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< |
//if the subclass want to using different velocitizer, use setVelocitizer |
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> |
// Create a default a velocitizer: If the subclass wants to use |
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> |
// a different velocitizer, use setVelocitizer |
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velocitizer_ = new Velocitizer(info); |
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|
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} |
