Probe-Particle / ppafmLinks
Classical force field model for simulating atomic force microscopy images.
☆62Updated this week
Alternatives and similar repositories for ppafm
Users that are interested in ppafm are comparing it to the libraries listed below
Sorting:
- Python package to analyse electron density & electrostatic potential grids☆89Updated this week
- Python Cp2k interface☆100Updated 3 years ago
- Constant potential method in LAMMPS☆53Updated 2 years ago
- ☆111Updated 3 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆56Updated 2 weeks ago
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated 2 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- Python library written in C++ for calculation of local atomic structural environment☆69Updated last year
- Python tools to handle CP2K output files☆46Updated last week
- ☆73Updated 8 months ago
- Python interface for VASP☆89Updated this week
- A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.☆178Updated 2 months ago
- A Python library and command line interface for automated free energy calculations☆86Updated 3 weeks ago
- The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…☆76Updated 7 months ago
- General purpose tools for high-throughput catalysis☆100Updated 7 months ago
- The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.☆103Updated last year
- I-ReaxFF: stand for Intelligent-Reactive Force Field☆36Updated last week
- LAMMPS interface for phonon calculations using phonopy☆90Updated 2 months ago
- Analysis of quantum chemical interactions in molecules and solids.☆113Updated last week
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆62Updated 6 months ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆109Updated 3 years ago
- ASE density-functional tight-binding calculator☆68Updated 11 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆44Updated 4 months ago
- Site-Occupation Disorder☆47Updated 9 months ago
- ☆44Updated last week
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- ☆73Updated 2 years ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆152Updated last year