Functions | |
void | fast_solve_3D_eigenvectors (BTK::MATH::BTKMatrix &M, double const evalues[3], BTK::MATH::BTKVector evecs[3]) |
void | fast_solve_3D_eigenvalues (BTK::MATH::BTKMatrix const &M, double e_vals[3]) |
double | determinant (BTK::MATH::BTKMatrix const &M) |
template<typename AtomIterator1, typename AtomIterator2> | |
void | setup_rmsd (AtomIterator1 first1, AtomIterator1 last1, AtomIterator2 first2, AtomIterator2 last2, BTK::MATH::BTKVector &T1, BTK::MATH::BTKVector &T2, BTK::MATH::BTKMatrix &R, BTK::MATH::BTKMatrix &RtR, double &Eo, unsigned &N, double &omega, double e_vals[3]) |
double BTK::ALGORITHMS::internal::determinant | ( | BTK::MATH::BTKMatrix const & | M | ) |
void fast_solve_3D_eigenvalues | ( | BTK::MATH::BTKMatrix const & | M, | |
double | e_vals[3] | |||
) |
void fast_solve_3D_eigenvectors | ( | BTK::MATH::BTKMatrix & | M, | |
double const | evalues[3], | |||
BTK::MATH::BTKVector | evecs[3] | |||
) |
void BTK::ALGORITHMS::internal::setup_rmsd | ( | AtomIterator1 | first1, | |
AtomIterator1 | last1, | |||
AtomIterator2 | first2, | |||
AtomIterator2 | last2, | |||
BTK::MATH::BTKVector & | T1, | |||
BTK::MATH::BTKVector & | T2, | |||
BTK::MATH::BTKMatrix & | R, | |||
BTK::MATH::BTKMatrix & | RtR, | |||
double & | Eo, | |||
unsigned & | N, | |||
double & | omega, | |||
double | e_vals[3] | |||
) |