v1.3.0

INTRODUCTION

  • ChASE: an Iterative Solver for Dense Eigenproblems
  • Versions of the library
  • Licenses and Copyright
  • References and Contributors

USER DOCUMENTATION

  • 1. Quick Start
  • 2. Installation and Setup on a Cluster
  • 3. How to use ChASE
  • 4. Parameters and Configurations
  • 5. Modules
  • 6. Examples

DEVELOPER DOCUMENTATION

  • 1. General algorithm
    • 1.1. The modified Lanczos for bound estimates
    • 1.2. Orthogonalization and Rayleigh-Ritz
    • 1.3. The Chebyshev filter
    • 1.4. Algorithm optimizations
  • 2. Virtual Abstract of Numerical Kernels
  • 3. Parallel implementations
ChASE
  • Docs »
  • 1. General algorithm
  • View page source

1. General algorithmΒΆ

This section describes the general algorithm underlying all ChASE implementations. WORK IN PROGRESS.

  • 1.1. The modified Lanczos for bound estimates
  • 1.2. Orthogonalization and Rayleigh-Ritz
  • 1.3. The Chebyshev filter
  • 1.4. Algorithm optimizations
    • 1.4.1. Optimizing Chebyshev degree
    • 1.4.2. Locking and deflation
Next Previous

© Copyright 2023, SimLab Quantum Materials.

Built with Sphinx using a theme provided by Read the Docs.