advancesoftcorp / lammpsLinks
Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
☆57Updated 2 months ago
Alternatives and similar repositories for lammps
Users that are interested in lammps are comparing it to the libraries listed below
Sorting:
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- ☆67Updated 2 years ago
- Python package to analyse the structural dynamics of perovskites☆44Updated 3 weeks ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- Code for automated fitting of machine learned interatomic potentials.☆118Updated last week
- GRACE models and gracemaker (as implemented in TensorPotential package)☆71Updated 2 weeks ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆28Updated 6 months ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆102Updated last week
- A... M... L...☆50Updated 3 years ago
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆38Updated 3 months ago
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆36Updated 6 months ago
- ☆43Updated 7 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆39Updated 6 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Active Learning for Machine Learning Potentials☆56Updated last month
- Defect structure-searching employing chemically-guided bond distortions☆105Updated 3 weeks ago
- Defect analysis modules for pymatgen☆55Updated last week
- ☆61Updated 4 months ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆40Updated last month
- ☆60Updated 4 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆22Updated last year
- Tutorials related to GPUMD☆44Updated 4 months ago
- ☆13Updated 2 months ago
- ASE interface for fully constant potential with VASP☆35Updated 11 months ago
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- ☆48Updated 11 months ago
- ☆90Updated last week