# | Line 55 | Line 55 | void Bend::calcForce() { | |
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55 | atom3_->addFrc(force3); | |
56 | } | |
57 | ||
58 | – | double k = value->k * scale; |
59 | – | double theta0 = value->theta0; |
60 | – | |
61 | – | double diff = theta - theta0; |
62 | – | |
63 | – | double energy = k * diff * diff; |
64 | – | |
65 | – | double firstDerivative = 2.0 * k * diff; |
66 | – | |
58 | } //end namespace oopse |
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