AlGDock/ForceFields/OBC/ObcParameters.cpp
/**---------------------------------------------------------------------------------------

      Set the force to use periodic boundary conditions.  This requires that a cutoff has
      also been set, and the smallest side of the periodic box is at least twice the cutoff
      distance.

      @param vectors    the vectors defining the periodic box

      --------------------------------------------------------------------------------------- */
Set the force to use periodic boundary conditions.  This requires that a cutoff has
also been set, and the smallest side of the periodic box is at least twice the cutoff
distance.
Set the force to use periodic boundary conditions . This requires that a cutoff has also been set and the smallest side of the periodic box is at least twice the cutoff distance .
void ObcParameters::setPeriodic(OpenMM::RealVec* vectors) {
    assert(_cutoff);
    assert(vectors[0][0] >= 2.0*_cutoffDistance);
    assert(vectors[1][1] >= 2.0*_cutoffDistance);
    assert(vectors[2][2] >= 2.0*_cutoffDistance);
    _periodic           = true;
    _periodicBoxVectors[0] = vectors[0];
    _periodicBoxVectors[1] = vectors[1];
    _periodicBoxVectors[2] = vectors[2];
}
void ObcParameters :: setPeriodic ( OpenMM :: RealVec * vectors ) { assert ( _cutoff ) ; assert ( vectors [ 0 ] [ 0 ] >= 2.0 * _cutoffDistance ) ; assert ( vectors [ 1 ] [ 1 ] >= 2.0 * _cutoffDistance ) ; assert ( vectors [ 2 ] [ 2 ] >= 2.0 * _cutoffDistance ) ; _periodic = true ; _periodicBoxVectors [ 0 ] = vectors [ 0 ] ; _periodicBoxVectors [ 1 ] = vectors [ 1 ] ; _periodicBoxVectors [ 2 ] = vectors [ 2 ] ; }
Set the force to use periodic boundary conditions.
Set the force to use periodic boundary conditions .