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Searched refs:_gconv (Results 1 – 2 of 2) sorted by relevance

/dports/science/openbabel/openbabel-3.1.1/include/openbabel/
H A Dforcefield.h541 …double _econv, _gconv, _e_n1; //!< Used for conjugate gradients and steepest descent(Initialize a… variable
/dports/science/openbabel/openbabel-3.1.1/src/
H A Dforcefield.cpp2750 _gconv = 1.0e-2; // gradient convergence (0.1) squared in SteepestDescentInitialize()
2843 && (maxgrad < _gconv)) { // gradient criteria (0.1) squared in SteepestDescentTakeNSteps()
2879 _gconv = 1.0e-2; // gradient convergence (0.1) squared in ConjugateGradientsInitialize()
3045 && (maxgrad < _gconv)) { // gradient criteria (0.1) squared in ConjugateGradientsTakeNSteps()