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:
- ☆61Updated 5 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- ☆36Updated 5 years ago
- ☆43Updated 7 years ago
- cp2k postprocessing tools☆69Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆26Updated 6 years ago
- ☆48Updated 11 months ago
- Training code used to optimize reaxff force field (via LAMMPS)☆19Updated 8 years ago
- Tutorials on CP2K calculations☆55Updated 3 years ago
- Python tools to handle CP2K output files☆40Updated this week
- Examples demonstrating how to reproduce the results in the paper.☆58Updated 10 months ago
- A python interface of NEP☆61Updated 9 months ago
- An optimization framework using Latin Hypercube Design and deep learning to explore high-dimensional parameter spaces.☆29Updated last year
- ASE interface for fully constant potential with VASP☆35Updated 11 months ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆55Updated last week
- Site-Occupation Disorder☆44Updated 5 months ago
- Some scripting tools used for lammps input or output☆60Updated 3 months ago
- LAMMPS interface for phonon calculations using phonopy☆88Updated last year
- Occupation matrix control modification VASP☆50Updated 6 years ago
- ☆29Updated 3 years ago
- A code for generating irreducible site-occupancy configurations☆49Updated last year
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆46Updated 3 months ago
- ☆19Updated 6 years ago
- ☆68Updated 2 years ago
- ☆57Updated 3 years ago
- VASP Convergence Testing (for Energy & Dielectric Constants)☆55Updated last year
- Python Cp2k interface☆98Updated 3 years ago
- A lite tool for monitoring convergence in VASP relaxation☆17Updated last year
- potfit force-matching code☆41Updated last year