Searched refs:_cstep (Results 1 – 2 of 2) sorted by relevance
2748 _cstep = 0; in SteepestDescentInitialize()2780 _cstep++; in SteepestDescentTakeNSteps()2832 if ((_cstep % _pairfreq == 0) && _cutoff) in SteepestDescentTakeNSteps()2836 if (_cstep % 10 == 0) { in SteepestDescentTakeNSteps()2849 if (_nsteps == _cstep) { in SteepestDescentTakeNSteps()2876 _cstep = 0; in ConjugateGradientsInitialize()2974 _cstep++; in ConjugateGradientsTakeNSteps()2998 if (_cstep % _mol.NumAtoms() != 0) { in ConjugateGradientsTakeNSteps()3041 if ((_cstep % _pairfreq == 0) && _cutoff) in ConjugateGradientsTakeNSteps()3055 if (_cstep % 10 == 0) { in ConjugateGradientsTakeNSteps()[all …]
542 …int _cstep, _nsteps; //!< Used for conjugate gradients and steepest descent(Initialize and TakeNS… variable