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AngleBend.h File Reference

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Classes

class  ForceFields::UFF::AngleBendContrib
 The angle-bend term for the Universal Force Field. More...

Namespaces

namespace  ForceFields
namespace  ForceFields::UFF
namespace  ForceFields::UFF::Utils

Functions

double ForceFields::UFF::Utils::calcAngleForceConstant (double theta0, double bondOrder12, double bondOrder23, const AtomicParams *at1Params, const AtomicParams *at2Params, const AtomicParams *at3Params)
 Calculate the force constant for an angle bend.
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