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Commit 2718dcf6 authored by cmaffeo2's avatar cmaffeo2
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Fixed bug in product potential's apply_dihedral_force

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src/TabulatedPotential.h
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......@@ -440,11 +440,11 @@ public:
f3 = -distbc * crossBCD.rLength2() * crossBCD;
f2 = -(ab.dot(bc) * bc.rLength2()) * f1 - (bc.dot(cd) * bc.rLength2()) * f3;
energy_deriv = (ab.length2()*bc.length2()*crossABC.rLength2() > 100.0f || bc.length2()*cd.length2()*crossBCD.rLength2() > 100.0f) ? 0.0f : energy_deriv;
if ( energy_deriv > 1000.0f )
energy_deriv = 1000.0f;
if ( energy_deriv < -1000.0f )
energy_deriv = -1000.0f;
// energy_deriv = (ab.length2()*bc.length2()*crossABC.rLength2() > 100.0f || bc.length2()*cd.length2()*crossBCD.rLength2() > 100.0f) ? 0.0f : energy_deriv;
/* if ( energy_deriv > 1000.0f ) */
/* energy_deriv = 1000.0f; */
/* if ( energy_deriv < -1000.0f ) */
/* energy_deriv = -1000.0f; */
f1 *= energy_deriv;
f2 *= energy_deriv;
......
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