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Searched refs:_velocityPtr (Results 1 – 2 of 2) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/
H A Dforcefield.cpp790 _velocityPtr[a->GetIdx()+1], _velocityPtr[a->GetIdx()+2]); in PrintVelocities()
817 _velocityPtr = nullptr; in Setup()
826 if (_velocityPtr) in Setup()
882 if (_velocityPtr) in Setup()
3486 velocity = sqrt( _velocityPtr[velocityIdx] * _velocityPtr[velocityIdx] + in CorrectVelocities()
3487 _velocityPtr[velocityIdx+1] * _velocityPtr[velocityIdx+1] + in CorrectVelocities()
3488 _velocityPtr[velocityIdx+2] * _velocityPtr[velocityIdx+2] ); in CorrectVelocities()
3508 velocity = sqrt( _velocityPtr[velocityIdx] * _velocityPtr[velocityIdx] + in CorrectVelocities()
3509 _velocityPtr[velocityIdx+1] * _velocityPtr[velocityIdx+1] + in CorrectVelocities()
3510 _velocityPtr[velocityIdx+2] * _velocityPtr[velocityIdx+2] ); in CorrectVelocities()
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/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dforcefield.h549 double *_velocityPtr; //!< pointer to the velocities variable