marekandreas / elpaLinks
A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)
☆30Updated 4 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
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated 11 months ago
- Tensor Algebra for many-body methods☆17Updated last week
- C++17 Wrapper for ScaLAPACK☆11Updated last year
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last month
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆35Updated last month
- Library for Green’s function based electronic structure theory calculations☆24Updated last month
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- Basic numerical tensor algebra library for distributed heterogeneous HPC platforms☆17Updated 2 years ago
- Automatic code generation of Fast Multipole and Barnes-Hut operators☆19Updated 2 years ago
- Argonne Leadership Computing Facility OpenCL tutorial☆10Updated 4 years ago
- A C++ linear algebra algebra focusing on tensor tree classes designed for quantum dynamics simulations and machine learning applications☆17Updated last year
- A generic implementation of tensor einsum in Fortran.☆27Updated 4 years ago
- Molecular dynamics proxy application based on Cabana☆21Updated 4 months ago
- Fortnet is a Behler-Parrinello-Neural-Network implementation, written in modern Fortran.☆31Updated 4 months ago
- A place to store information for the tensor discussions and possible specifications.☆17Updated 2 months ago
- Davidson eigensolver implemented in Fortran☆16Updated 5 years ago
- MultiResolution Computation Program Package☆12Updated 2 months ago
- This is a mirror. Please check our main website on gitlab.☆29Updated last month
- EigenKernel - a package of hybrid parallel solvers for eigenvalue problems☆15Updated 3 years ago
- Open Source Exascale Computational Chemistry Software☆25Updated this week
- This repository mirrors the principal Gitlab repository of the Chebyshev Accelerated Subspace iteration Eigensolver. If you want to contr…☆18Updated 2 weeks ago
- MultiResolution Chemistry☆33Updated last month
- DCA++☆38Updated 2 months ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆15Updated 2 weeks ago
- Finite Element Solvers for Atomic Structure Calculations☆12Updated last year
- ☆14Updated 2 years ago
- ☆20Updated last week
- An optimized libcint branch for X86 architecture☆29Updated 2 months ago