Package org.jmol.minimize.forcefield
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Class Summary Class Description AtomType Calculation Calculations CalculationsMMFF CalculationsUFF FFParam ForceField ForceFieldMMFF MMFF94 implementation 5/14/2012 - fully validated for atom types and charges - reasonably well validated for energies (see below) - TODO: add UFF for preliminary/backup calculationForceFieldUFF MMFFAngleCalc MMFFDistanceCalc MMFFESCalc MMFFOOPCalc MMFFSBCalc MMFFTorsionCalc MMFFVDWCalc UFFAngleCalc UFFDistanceCalc UFFOOPCalc UFFTorsionCalc UFFVDWCalc