Searched refs:cos_jkl (Results 1 – 3 of 3) sorted by relevance
45 double sin_ijk, cos_ijk, sin_jkl, cos_jkl; in Calculate_Omega() local53 cos_jkl = cos(p_jkl->theta); in Calculate_Omega()64 htra = r_ij + cos_ijk * (r_kl * cos_jkl - r_jk); in Calculate_Omega()65 htrb = r_jk - r_ij * cos_ijk - r_kl * cos_jkl; in Calculate_Omega()66 htrc = r_kl + cos_jkl * (r_ij * cos_ijk - r_jk); in Calculate_Omega()67 hthd = r_ij * sin_ijk * (r_jk - r_kl * cos_jkl); in Calculate_Omega()72 hnhe = r_ij * r_kl * sin_ijk * cos_jkl; in Calculate_Omega()79 r_jk * r_kl * cos_jkl); in Calculate_Omega()137 double cos_ijk, cos_jkl; in Torsion_Angles() local254 cos_jkl = cos(theta_jkl); in Torsion_Angles()[all …]
80 double cos_ijk, cos_jkl; in Torsion_AnglesOMP() local218 cos_jkl = cos(theta_jkl); in Torsion_AnglesOMP()221 tan_jkl_i = cos_jkl / MIN_SINE; in Torsion_AnglesOMP()223 tan_jkl_i = cos_jkl / -MIN_SINE; in Torsion_AnglesOMP()224 else tan_jkl_i = cos_jkl /sin_jkl; in Torsion_AnglesOMP()
4227 double cos_jkl = VectorDot(jk, kl); in VectorTorsionDerivative() local4228 if (cos_jkl > 1.0) { in VectorTorsionDerivative()4230 cos_jkl = 1.0; in VectorTorsionDerivative()4231 } else if (cos_jkl < -1.0) { in VectorTorsionDerivative()4233 cos_jkl = -1.0; in VectorTorsionDerivative()4235 angle_jkl = acos(cos_jkl); in VectorTorsionDerivative()