This is a library for various numerical algorithms that can work with the VMPS code (https://github.com/TNWorkers/VMPS) or with other codes.
- Lanczos algorithm for the lowest eigenvectors of Hermitian matrices
- Arnoldi algorithm for the lowest eigenvectors of general matrices
- GMRES to solve systems of linear equations on the Krylov space
- Brillouin zone sums
- Gaussian integration with user-defined weight functions
- reverse Cuthill-McKee algorithm to minimize graph bandwidth
- spline interpolation
- linear prediction
- solver for the radial part of the single-particle Schrödinger equation
- finding numerical roots
- C++, Eigen, Boost, GSL
Browse doxygen documentation to explore the interface and general documentation.
Roman Rausch, Matthias Peschke, Cassian Plorin