avishart / CP2K_EditorLinks
CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input file used in CP2K.
☆55Updated 6 years ago
Alternatives and similar repositories for CP2K_Editor
Users that are interested in CP2K_Editor are comparing it to the libraries listed below
Sorting:
- ☆57Updated 3 months ago
- ☆36Updated 5 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆61Updated 6 years ago
- ☆47Updated 9 months ago
- A python interface of NEP☆57Updated 7 months ago
- ☆42Updated 7 years ago
- ASE interface for fully constant potential with VASP☆35Updated 9 months ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- ☆28Updated 2 years ago
- ☆67Updated 2 years ago
- cp2k postprocessing tools☆68Updated 2 months ago
- Tutorials on CP2K calculations☆54Updated 3 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 9 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- Python tools to handle CP2K output files☆39Updated this week
- [UNMAINTAINED] Lammps data file creation☆27Updated 7 years ago
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 10 months ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆53Updated last week
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model☆37Updated last month
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- Occupation matrix control modification VASP☆49Updated 5 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆43Updated 2 months ago
- ☆56Updated 3 years ago
- Visualize vibrational modes from VASP calculations☆42Updated 6 months ago
- A python class for parsing VASP XDATCAR from molecular dynamics☆25Updated 10 months ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 11 months ago
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago