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from MMTK import *
from HarmonicOscillatorFF import HarmonicOscillatorForceField
from MMTK.ForceFields.ForceFieldTest import gradientTest, forceConstantTest
universe = InfiniteUniverse()
universe.atom1 = Atom('C', position=Vector(0., 0., 1.05))
universe.atom2 = Atom('C', position=Vector(0., 1.05, 0.))
ff1 = HarmonicOscillatorForceField(universe.atom1, Vector(0., 0., 1.), 100.)
ff2 = HarmonicOscillatorForceField(universe.atom2, Vector(0., 1., 0.), 100.)
universe.setForceField(ff1+ff2)
e, g = universe.energyAndGradients()
print universe.energyTerms()
print e
gradientTest(universe)
forceConstantTest(universe)
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