marekandreas / elpaLinks
A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
☆38Updated 4 months ago
Alternatives and similar repositories for elpa
Users that are interested in elpa are comparing it to the libraries listed below
Sorting:
- C++17 Wrapper for ScaLAPACK☆11Updated 2 years ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆27Updated 3 months ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated last year
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆20Updated last year
- Library for Green’s function based electronic structure theory calculations☆28Updated last month
- Distributed Communication-Optimal Shuffle and Transpose Algorithm☆14Updated 7 months ago
- Tensor Algebra Library Routines for Shared Memory Systems☆39Updated 2 years ago
- Code generator for simint vectorized integrals☆29Updated 2 years ago
- DCA++☆39Updated 2 weeks ago
- ☆12Updated 4 months ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆18Updated 3 years ago
- SeQuant: Symbolic Algebra of Tensors over Operators and Scalars☆26Updated this week
- Argonne Leadership Computing Facility OpenCL tutorial☆10Updated 4 months ago
- Finite Element Solvers for Atomic Structure Calculations☆12Updated 2 months ago
- Molecular dynamics proxy application based on Cabana☆21Updated 10 months ago
- A place to store information for the tensor discussions and possible specifications.☆21Updated 6 months ago
- Python bindings for data interoperability with Kokkos (View, DynRankView)☆27Updated 2 weeks ago
- Finite element methods for electronic structure calculations on small systems☆41Updated 2 months ago
- Tensor Algebra for many-body methods☆19Updated 2 months ago
- A generic implementation of tensor einsum in Fortran.☆30Updated 4 years ago
- Molecular dynamics proxy application based on Kokkos☆33Updated last year
- A performance-oriented prototyping harness for state of the art Molecular Dynamics algorithms☆17Updated 2 weeks ago
- The NonEquilibrium Systems SImulation package.☆34Updated last year
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆41Updated 3 weeks ago
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- C++ library for multi-dimensional arrays. Supported by the Flatiron Institute.☆24Updated 2 weeks ago
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆32Updated 10 months ago
- A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theor…☆17Updated 5 months ago
- This repository mirrors the principal Gitlab repository of the Chebyshev Accelerated Subspace iteration Eigensolver. If you want to contr…☆19Updated 2 weeks ago
- This is a mirror. Please check our main website on gitlab.☆29Updated last week