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Searched refs:GetAtomMassLoc (Results 1 – 3 of 3) sorted by relevance

/dports/science/wxmacmolplt/wxmacmolplt-7.7-43-g9a46f7a/src/
H A DPrefs.h484 inline float * GetAtomMassLoc(void) {return AtomMasses;}; in GetAtomMassLoc() function
H A DDataClasses.cpp105 CalculateCenterOfMass(FixedAtoms, NumOptAtoms, Prefs->GetAtomMassLoc(), &Center1); in MinimizeDifferences()
106 CalculateCenterOfMass(targetAtoms, NumOptAtoms, Prefs->GetAtomMassLoc(), &Center2); in MinimizeDifferences()
H A DMoleculeData.cpp1218 Prefs->GetAtomMassLoc(), &centerOfMass); in DeterminePrincipleOrientation()