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.
☆60Jul 15, 2019Updated 7 years ago
Alternatives and similar repositories for CP2K_Editor
Users that are interested in CP2K_Editor are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆62Oct 5, 2026Updated last week
- Python Cp2k interface☆105Jun 7, 2022Updated 4 years ago
- DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input☆29Apr 18, 2019Updated 7 years ago
- Tutorials on CP2K calculations☆68Dec 16, 2021Updated 4 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Python tools to handle CP2K output files☆55Oct 5, 2026Updated last week
- ☆15Nov 13, 2022Updated 3 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Updated this week
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 6 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated 2 years ago
- A collection of tools I created related to the molecular simulations package RASPA.☆12Dec 4, 2023Updated 2 years ago
- automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs☆171May 24, 2023Updated 3 years ago
- iRASPA for linux☆37Aug 18, 2026Updated last month
- Scanning probe microscopy simulation tools based on CP2K☆15Sep 26, 2026Updated 2 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆11Aug 30, 2020Updated 6 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 8 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆53May 7, 2026Updated 5 months ago
- ☆40Oct 8, 2019Updated 7 years ago
- Simulations of BKS silica in LAMMPS☆15Nov 21, 2018Updated 7 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 4 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73Sep 12, 2026Updated last month
- A TCL code for the calculation of mass/number density of a system.☆19Jun 21, 2024Updated 2 years ago
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具☆76Sep 18, 2020Updated 6 years ago
- some toolkits for VASP☆36Apr 30, 2021Updated 5 years ago
- Quantum chemistry and solid state physics software package☆1,218Updated this week
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated 2 years ago
- An ASE interface to Amesp☆13Oct 8, 2023Updated 3 years ago
- GUI4dft - first free SIESTA oriented GUI☆29Jul 15, 2026Updated 2 months ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆56Oct 22, 2023Updated 2 years ago
- p4vasp, the VASP Visualization Tool☆159May 21, 2022Updated 4 years ago
- A library of ultrasoft and PAW pseudopotentials☆106Sep 16, 2022Updated 4 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 5 years ago
- ☆16Dec 17, 2024Updated last year
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- zeo++ fork of the LSMO☆24Dec 19, 2022Updated 3 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 10 years ago
- BURAI, a GUI system of Quantum ESPRESSO☆73May 7, 2021Updated 5 years ago