Probe-Particle / ppafmLinks
Classical force field model for simulating atomic force microscopy images.
☆56Updated last month
Alternatives and similar repositories for ppafm
Users that are interested in ppafm are comparing it to the libraries listed below
Sorting:
- Automatic generation of crystal structure descriptions.☆123Updated this week
- Python Cp2k interface☆97Updated 3 years ago
- Python package to analyse electron density & electrostatic potential grids☆87Updated last year
- ☆110Updated 2 years ago
- Constant potential method in LAMMPS☆51Updated 2 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- CrySPY is a crystal structure prediction tool written in Python.☆136Updated last month
- A Python library and command line interface for automated free energy calculations☆82Updated last month
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- A grain boundary generation code☆73Updated last year
- A plugin to AiiDA for running simulations with VASP☆55Updated this week
- LAMMPS interface for phonon calculations using phonopy☆87Updated last year
- A... M... L...☆50Updated 3 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆72Updated last year
- Defect analysis modules for pymatgen☆54Updated last week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆149Updated last year
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆42Updated 8 months ago
- Atomic interaction potentials based on artificial neural networks☆119Updated last week
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆54Updated this week
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆55Updated last month
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- Python tools to handle CP2K output files☆40Updated last week
- ☆61Updated 8 months ago
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 9 months ago
- Defect structure-searching employing chemically-guided bond distortions☆101Updated this week
- ☆43Updated 4 months ago