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eonc::IRACompare Member List

This is the complete list of members for eonc::IRACompare, including all inherited members.

alignReactantToProduct(Matter &reactant, const Matter &product, double distThreshold)eonc::IRAComparestatic
findSymmetry(const Matter &m, double threshold, bool prescreenIh=true)eonc::IRAComparestatic
findSymmetry(const Matter &m, double threshold, bool prescreenIh, IIRAResource &res)eonc::IRAComparestatic
match(const Matter &m1, const Matter &m2, double distThreshold)eonc::IRAComparestatic
matchArrays(int nat1, const int *typ1, const double *pos1, int nat2, const int *typ2, const double *pos2, double distThreshold)eonc::IRAComparestatic
matchArrays(int nat1, const int *typ1, const double *pos1, int nat2, const int *typ2, const double *pos2, double distThreshold, IIRAResource &res)eonc::IRAComparestatic
matchPBC(const Matter &m1, const Matter &m2, double distThreshold)eonc::IRAComparestatic
matchPBC(const Matter &m1, const Matter &m2, double distThreshold, IIRAResource &res)eonc::IRAComparestatic