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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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namespace OpenMD{ |
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/** |
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return rigidbodyData.getSize(); |
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} |
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/** Returns the number of rigid bodies */ |
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int getNumberOfCutoffGroups() { |
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return cgData.getSize(); |
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} |
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|
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/** Returns the H-Matrix */ |
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Mat3x3d getHmat() { |
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return hmat_; |
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hasCOM_ = true; |
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} |
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Vector3d getAtomPosByIindex(int iIndex) { |
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#ifdef IS_MPI |
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return atomIData.position[iIndex]; |
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#else |
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return atomData.position[iIndex]; |
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#endif |
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} |
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Vector3d getAtomPosByJindex(int jIndex) { |
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#ifdef IS_MPI |
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return atomJData.position[jIndex]; |
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#else |
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return atomData.position[jIndex]; |
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#endif |
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} |
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|
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Vector3d getCutoffGroupPosByIindex(int iIndex) { |
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#ifdef IS_MPI |
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return cgIData.position[iIndex]; |
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#else |
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return cgData.position[iIndex]; |
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#endif |
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} |
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Vector3d getCutoffGroupPosByJindex(int jIndex) { |
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#ifdef IS_MPI |
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return cgJData.position[jIndex]; |
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#else |
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return cgData.position[jIndex]; |
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#endif |
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} |
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|
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DataStorage atomData; |
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DataStorage rigidbodyData; |
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DataStorage cgData; |
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Stats statData; |
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#ifdef IS_MPI |
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DataStorage atomIData; |
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DataStorage atomJData; |
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DataStorage cgIData; |
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DataStorage cgJData; |
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#endif |
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private: |
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RealType currentTime_; |
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