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 5 months ago
- Molecular dynamics proxy application based on Kokkos☆34Updated last year
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated last year
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆63Updated 5 years ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆144Updated this week
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated this week
- MGmol is a scalable O(N) First-Principles Molecular Dynamics code that is capable of performing large-scale electronics structure calcula…☆43Updated last week
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆36Updated this week
- Classical molecular dynamics proxy application.☆32Updated 5 years ago
- ScaFaCoS library for Fast Coulomb Solvers☆29Updated 5 months ago
- Contains build scripts and instructions for software on a variety of UK HPC resources☆87Updated 3 months ago
- Exchange correlation (XC) library for density functional theory (DFT) calculations in modern C++☆21Updated this week
- A massively parallel library for computing the functions of sparse matrices.☆24Updated 3 weeks ago
- Tensor Algebra for many-body methods☆19Updated last month
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆32Updated last month
- Open Source Exascale Computational Chemistry Software☆26Updated 3 weeks ago
- RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density function…☆49Updated this week
- Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support☆55Updated last week
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- Developer repository for the LATTE code☆46Updated 4 months ago
- MultiResolution Chemistry☆34Updated 3 months ago
- Domain specific library for electronic structure calculations☆147Updated last week
- DFT-FE: Real-space DFT calculations using Finite Elements☆140Updated last week
- Code generator for simint vectorized integrals☆28Updated 2 years ago
- DPLASMA is a highly optimized, accelerator-aware, implementation of a dense linear algebra package for distributed heterogeneous systems…☆15Updated 2 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 3 years ago
- Provides compile-time contraction pattern analysis to determine optimal tensor operation to perform.☆61Updated 3 weeks ago
- High-Performance configuration patterns and recipes.☆46Updated 3 weeks ago
- A CUDA project for Molecular Dynamics, Brownian Dynamics, Hydrodynamics... intended to simulate a very generic system constructing a simu…☆59Updated last week
- Training examples for SYCL☆49Updated last week