HPAC / lammps-tersoff-vectorLinks
A Vectorized Implementation of the Tersoff Potential for the LAMMPS Molecular Dynamics Software
☆12Updated 7 years ago
Alternatives and similar repositories for lammps-tersoff-vector
Users that are interested in lammps-tersoff-vector are comparing it to the libraries listed below
Sorting:
- MiniMD Molecular Dynamics Mini-App☆49Updated 3 months ago
- Plug-in to accelerate Quantum ESPRESSO v5 using NVIDIA GPU☆30Updated 8 years ago
- A python wrapper around ScaLAPACK☆33Updated 3 years ago
- GPU-accelerated Quantum ESPRESSO using CUDA FORTRAN☆62Updated 5 years ago
- LSMS is a code for scalable first principles calculations of materials using multiple scattering theory.☆28Updated 3 weeks ago
- Parallel Computational Chemistry Application☆18Updated 7 years ago
- C++ implemented Coordinate Descent Full Configuration Interaction (CDFCI) package for quantum chemistry calculation.☆18Updated 5 years ago
- A test suite for the VASP electronic structure code☆38Updated 11 years ago
- GPI-2☆56Updated 10 months ago
- High-Performance configuration patterns and recipes.☆45Updated this week
- Qbox public repository☆36Updated last month
- GauXC is a modern, modular C++ library for the evaluation of quantities related to the exchange-correlation (XC) energy (e.g. potential, …☆34Updated 2 weeks ago
- QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experi…☆27Updated 10 months ago
- ☆20Updated 5 months ago
- C++ library for the implementation of tensor product calculations through a clean, concise user interface.☆23Updated last year
- The exciting code is a powerful open-source DFT package targeted to scientific developers and users that need a modern and adaptable plat…☆60Updated 4 months ago
- Kohn-Sham Python-based inversion Evaluation Software☆12Updated 3 years ago
- Implementation of MPI that supports large counts☆48Updated 6 months ago
- Materials used in a school on QMC methods☆26Updated 5 years ago
- Distributed-parallel C/C++ Tensor Library☆19Updated 6 years ago
- Tensor Algebra Library Routines for Shared Memory Systems☆38Updated last year
- Library for Green’s function based electronic structure theory calculations☆23Updated 2 weeks ago
- A scalable eigensolver for dense, symmetric (hermitian) matrices (fork of https://gitlab.mpcdf.mpg.de/elpa/elpa.git)☆30Updated 4 months ago
- Tensor Algebra for many-body methods☆17Updated last week
- The mainline development distribution for QWalk☆35Updated 5 years ago
- DBCSR: Distributed Block Compressed Sparse Row matrix library☆142Updated last week
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- A top-level, user-focused, conglomerate repo for the NWChemEx project.☆13Updated 3 weeks ago
- Classical molecular dynamics proxy application.☆31Updated 4 years ago
- Python framework for generating and validating pseudo potentials☆44Updated last year