gaussian.h File Reference
#include "mpqc/math/external/eigen/eigen.h"
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Namespaces | |
mpqc | |
The top-level namespace for all Massively Parallel Quantum Chemistry package. | |
mpqc::math | |
Functions | |
void | mpqc::math::gauss_legendre (int N, Eigen::VectorXd &w, Eigen::VectorXd &x) |
this function uses orthogonal polynomial approach for obtaining quadrature roots and weights. Taken from paper: Gaussian Quadrature and the Eigenvalue Problem by John A. Gubner. http://gubner.ece.wisc.edu/gaussquad.pdf The code is outlined at Example 15: Legendre polynomials More... | |