Probe-Particle / ppafm
Classical force field model for simulating atomic force microscopy images.
☆52Updated this week
Alternatives and similar repositories for ppafm:
Users that are interested in ppafm are comparing it to the libraries listed below
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- Python library written in C++ for calculation of local atomic structural environment☆60Updated 6 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆51Updated 6 years ago
- Dealing with slabs for first principles calculations of surfaces☆62Updated last year
- ☆41Updated last month
- ASE density-functional tight-binding calculator☆63Updated 2 months ago
- Constant potential method in LAMMPS☆49Updated last year
- Code for automated fitting of machine learned interatomic potentials.☆72Updated last week
- ☆66Updated last year
- Defect analysis modules for pymatgen☆47Updated this week
- An algorithm to match crystal structures atom-to-atom☆52Updated 2 years ago
- Pynta - an automated workflow for reaction path exploration on metallic surfaces☆36Updated this week
- Python package to analyse electron density & electrostatic potential grids☆86Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆54Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆35Updated last month
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- A Python package for estimating diffusion properties from molecular dynamics simulations.☆65Updated this week
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆46Updated this week
- Defect structure-searching employing chemically-guided bond distortions☆88Updated last month
- ☆53Updated 3 years ago
- A Python library and command line interface for automated free energy calculations☆77Updated 3 months ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆56Updated last year
- Scanning probe microscopy simulation tools based on CP2K☆14Updated last week
- A... M... L...☆47Updated 3 years ago
- Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…☆86Updated last week
- ☆36Updated 5 months ago
- ☆47Updated 11 months ago
- Python interface for VASP☆81Updated this week
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆25Updated last year