Searched refs:calculateWithCutoff (Results 1 – 3 of 3) sorted by relevance
63 double calculateWithCutoff( double x, double& df ) const;
205 double HistogramBead::calculateWithCutoff( double x, double& df ) const { in calculateWithCutoff() function in PLMD::HistogramBead
304 double der, contr=bead.calculateWithCutoff( proj, der ) / cellv; der /= cellv; in calculateForThreeAtoms()