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*/ |
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#include "integrators/Velocitizer.hpp" |
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#include "math/SquareMatrix3.hpp" |
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#include "primitives/Molecule.hpp" |
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#include "primitives/StuntDouble.hpp" |
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#include "math/randomSPRNG.hpp" |
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namespace oopse { |
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int n; |
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Vector3d vdrift; |
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double vbar; |
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< |
const double kb = 8.31451e - 7; // kb in amu, angstroms, fs, etc. |
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/**@todo refactory kb */ |
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const double kb = 8.31451e-7; // kb in amu, angstroms, fs, etc. |
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double av2; |
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double kebar; |
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std::vector<Molecule *>::iterator i; |
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std::vector<StuntDouble *>::iterator j; |
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SimInfo::MoleculeIterator i; |
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Molecule::IntegrableObjectIterator j; |
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Molecule * mol; |
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StuntDouble * integrableObject; |
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gaussianSPRNG gaussStream(info_->getSeed()); |
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} |
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} //end for (mol = beginMolecule(i); ...) |
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// Get the Center of Mass drift velocity. |
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vdrift = info_->getComVel(); |
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removeComDrift(vdrift); |
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removeComDrift(); |
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} |
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< |
void Velocitizer::removeComDrift(const Vector3d& vdrift) { |
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< |
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< |
std::vector<Molecule *>::iterator i; |
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< |
std::vector<StuntDouble *>::iterator j; |
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> |
void Velocitizer::removeComDrift() { |
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> |
// Get the Center of Mass drift velocity. |
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> |
Vector3d vdrift = info_->getComVel(); |
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> |
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> |
SimInfo::MoleculeIterator i; |
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> |
Molecule::IntegrableObjectIterator j; |
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Molecule * mol; |
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StuntDouble * integrableObject; |
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