Mantevo / miniMDLinks
MiniMD Molecular Dynamics Mini-App
☆49Updated 5 months ago
Alternatives and similar repositories for miniMD
Users that are interested in miniMD are comparing it to the libraries listed below
Sorting:
- Molecular dynamics proxy application based on Cabana☆21Updated 6 months ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆145Updated last week
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated last year
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- Molecular dynamics proxy application based on Kokkos☆34Updated last year
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated last week
- Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support☆55Updated last month
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆32Updated last week
- Open Source Exascale Computational Chemistry Software☆27Updated last week
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆22Updated 3 weeks ago
- Classical molecular dynamics proxy application.☆32Updated 5 years ago
- DPLASMA is a highly optimized, accelerator-aware, implementation of a dense linear algebra package for distributed heterogeneous systems…☆15Updated 3 months ago
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated 3 weeks ago
- ScaFaCoS library for Fast Coulomb Solvers☆30Updated 6 months ago
- Developer repository for the LATTE code☆46Updated 4 months ago
- ☆14Updated 2 years ago
- Domain specific library for electronic structure calculations☆147Updated this week
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated this week
- MultiResolution Chemistry☆34Updated 3 months ago
- DFT-FE: Real-space DFT calculations using Finite Elements☆144Updated last week
- Contains build scripts and instructions for software on a variety of UK HPC resources☆87Updated 3 months ago
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…☆60Updated last week
- Partitioned Global Address Space (PGAS) library for distributed arrays☆104Updated this week
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- High-Performance configuration patterns and recipes.☆46Updated this week
- Distributed Communication-Optimal Shuffle and Transpose Algorithm☆14Updated 3 months ago
- Tensor Algebra for many-body methods☆19Updated this week
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 3 years ago