Mantevo / miniMDLinks
MiniMD Molecular Dynamics Mini-App
☆50Updated 7 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 Kokkos☆33Updated last year
- Molecular dynamics proxy application based on Cabana☆21Updated 7 months ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 3 weeks ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆144Updated last week
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years 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
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated last year
- Open Source Exascale Quantum Chemistry Software☆28Updated this week
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆24Updated last week
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆88Updated last week
- Distributed Communication-Optimal Shuffle and Transpose Algorithm☆14Updated 5 months ago
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆33Updated last month
- Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support☆55Updated 2 months ago
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated this week
- A modern C++ library for high-performance configuration interaction methods☆18Updated 3 months ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆50Updated last week
- Classical molecular dynamics proxy application.☆32Updated 5 years ago
- A flexible, templated GPU library of neighbor search algorithms.☆12Updated 4 years ago
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- ScaFaCoS library for Fast Coulomb Solvers☆30Updated 7 months ago
- GW-BSE for excited state Quantum Chemistry in a Gaussian Orbital basis, electronic spectroscopy with QM/MM, charge and energy dynamics in…☆29Updated 4 years ago
- Plane-Wave density-functional theory (DFT) development for NWChemEx electronic structure software☆13Updated last week
- High-Performance configuration patterns and recipes.☆45Updated this week
- Qbox public repository☆36Updated 5 months ago
- Tensor Algebra for many-body methods☆19Updated last week
- ☆22Updated last week
- Developer repository for the LATTE code☆46Updated this week
- Library for Green’s function based electronic structure theory calculations☆27Updated 4 months ago
- Domain specific library for electronic structure calculations☆151Updated this week