| 24 |
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*/ |
| 25 |
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| 26 |
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#include "integrators/Velocitizer.hpp" |
| 27 |
+ |
#include "math/SquareMatrix3.hpp" |
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+ |
#include "primitives/Molecule.hpp" |
| 29 |
+ |
#include "primitives/StuntDouble.hpp" |
| 30 |
+ |
#include "math/randomSPRNG.hpp" |
| 31 |
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| 32 |
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namespace oopse { |
| 33 |
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| 40 |
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int n; |
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Vector3d vdrift; |
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double vbar; |
| 43 |
< |
const double kb = 8.31451e - 7; // kb in amu, angstroms, fs, etc. |
| 43 |
> |
/**@todo refactory kb */ |
| 44 |
> |
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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| 48 |
< |
std::vector<Molecule *>::iterator i; |
| 49 |
< |
std::vector<StuntDouble *>::iterator j; |
| 48 |
> |
SimInfo::MoleculeIterator i; |
| 49 |
> |
Molecule::IntegrableObjectIterator j; |
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Molecule * mol; |
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StuntDouble * integrableObject; |
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gaussianSPRNG gaussStream(info_->getSeed()); |
| 98 |
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} |
| 99 |
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} //end for (mol = beginMolecule(i); ...) |
| 100 |
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| 96 |
– |
// Get the Center of Mass drift velocity. |
| 97 |
– |
vdrift = info_->getComVel(); |
| 101 |
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| 99 |
– |
removeComDrift(vdrift); |
| 102 |
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| 103 |
+ |
removeComDrift(); |
| 104 |
+ |
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| 105 |
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} |
| 106 |
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| 107 |
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| 108 |
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| 109 |
< |
void Velocitizer::removeComDrift(const Vector3d& vdrift) { |
| 110 |
< |
|
| 111 |
< |
std::vector<Molecule *>::iterator i; |
| 112 |
< |
std::vector<StuntDouble *>::iterator j; |
| 109 |
> |
void Velocitizer::removeComDrift() { |
| 110 |
> |
// Get the Center of Mass drift velocity. |
| 111 |
> |
Vector3d vdrift = info_->getComVel(); |
| 112 |
> |
|
| 113 |
> |
SimInfo::MoleculeIterator i; |
| 114 |
> |
Molecule::IntegrableObjectIterator j; |
| 115 |
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Molecule * mol; |
| 116 |
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StuntDouble * integrableObject; |
| 117 |
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|
