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/dports/science/openbabel/openbabel-3.1.1/src/
H A Dforcefield.cpp2405 double e_n1, e_n2, e_n3; in Newton2NumLineSearch() local
2456 e_n3 = Energy(false) + _constraints.GetConstraintEnergy(); in Newton2NumLineSearch()
2458 double denom = e_n3 - 2.0 * e_n2 + e_n1; // f'(x) in Newton2NumLineSearch()