Home
last modified time | relevance | path

Searched refs:angle_jkl (Results 1 – 1 of 1) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/src/
H A Dforcefield.cpp4125 double angle_ijk, angle_jkl; in VectorTorsionDerivative() local
4144 angle_jkl = DEG_TO_RAD * vectorAngle(jk, kl); in VectorTorsionDerivative()
4152 double sin_k = sin(angle_jkl); in VectorTorsionDerivative()
4164 double rrck = rrk * (-cos(angle_jkl)); in VectorTorsionDerivative()
4214 double angle_ijk, angle_jkl; in VectorTorsionDerivative() local
4229 angle_jkl = 0.0; in VectorTorsionDerivative()
4232 angle_jkl = M_PI; in VectorTorsionDerivative()
4235 angle_jkl = acos(cos_jkl); in VectorTorsionDerivative()
4239 double sin_k = sin(angle_jkl); in VectorTorsionDerivative()
4251 double rrck = rrk * (-cos(angle_jkl)); in VectorTorsionDerivative()