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#include "brains/DataStorage.hpp" |
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#include "brains/Stats.hpp" |
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#include "UseTheForce/DarkSide/simulation_interface.h" |
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using namespace std; |
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namespace oopse{ |
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class Snapshot { |
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public: |
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Snapshot(int nAtoms, int nRigidbodies) : currentTime_(0), chi_(0), integralOfChiDt_(0), eta_(0) { |
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Snapshot(int nAtoms, int nRigidbodies) : currentTime_(0), chi_(0.0), integralOfChiDt_(0.0), eta_(0.0) { |
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atomData.resize(nAtoms); |
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rigidbodyData.resize(nRigidbodies); |
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} |
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setFortranBox(fortranHmat, fortranInvHmat, &orthoRhombic_); |
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} |
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void getVolume() { |
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double getVolume() { |
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return hmat_.determinant(); |
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} |
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