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/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.cpp3027 double theta0_rad = DEG2RAD * mmffAngleParams->theta0; in getMMFFAngleBendEmpiricalRuleParams() local
3036 ((r0_ij + r0_jk) * theta0_rad * theta0_rad * exp(2.0 * D)); in getMMFFAngleBendEmpiricalRuleParams()