Searched refs:GetAtomMassLoc (Results 1 – 3 of 3) sorted by relevance
484 inline float * GetAtomMassLoc(void) {return AtomMasses;}; in GetAtomMassLoc() function
105 CalculateCenterOfMass(FixedAtoms, NumOptAtoms, Prefs->GetAtomMassLoc(), &Center1); in MinimizeDifferences()106 CalculateCenterOfMass(targetAtoms, NumOptAtoms, Prefs->GetAtomMassLoc(), &Center2); in MinimizeDifferences()
1218 Prefs->GetAtomMassLoc(), ¢erOfMass); in DeterminePrincipleOrientation()