marekandreas / elpaLinks
A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
☆30Updated 3 months ago
Alternatives and similar repositories for elpa
Users that are interested in elpa are comparing it to the libraries listed below
Sorting:
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated 2 months ago
- C++17 Wrapper for ScaLAPACK☆11Updated last year
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated 10 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Tensor Algebra for many-body methods☆17Updated this week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 3 weeks ago
- A place to store information for the tensor discussions and possible specifications.☆17Updated 2 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆34Updated 2 weeks ago
- DCA++☆38Updated last month
- Library for Green’s function based electronic structure theory calculations☆23Updated last week
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆17Updated last year
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- Molecular dynamics proxy application based on Cabana☆21Updated 3 months ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆19Updated 2 years ago
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆19Updated last week
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- This is a mirror. Please check our main website on gitlab.☆29Updated 3 weeks ago
- An optimized libcint branch for X86 architecture☆28Updated last month
- ☆20Updated 5 months ago
- MiniMD Molecular Dynamics Mini-App☆49Updated 3 months ago
- Open Source Exascale Computational Chemistry Software☆25Updated last month
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- A modern C++ library for high-performance configuration interaction methods☆16Updated 2 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated last week
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆59Updated 2 weeks ago
- MultiResolution Chemistry☆33Updated 3 weeks ago
- Finite element methods for electronic structure calculations on small systems☆38Updated last month
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- The NonEquilibrium Systems SImulation package.☆30Updated last year
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆23Updated last year