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.
☆59Jul 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☆60Updated this 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
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Python tools to handle CP2K output files☆51Updated this week
- ☆15Nov 13, 2022Updated 3 years ago
- Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems☆23Nov 27, 2025Updated 7 months ago
- Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel☆16Jul 26, 2020Updated 5 years ago
- Natural-orbital Functional based on PySCF☆11Aug 27, 2024Updated last year
- 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☆169May 24, 2023Updated 3 years ago
- iRASPA for linux and windows☆37Aug 27, 2024Updated last year
- Scanning probe microscopy simulation tools based on CP2K☆15Updated this week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆11Aug 30, 2020Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆56Jan 26, 2026Updated 5 months ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆52May 7, 2026Updated 2 months ago
- ☆39Oct 8, 2019Updated 6 years ago
- Simulations of BKS silica in LAMMPS☆15Nov 21, 2018Updated 7 years ago
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…☆73May 20, 2025Updated last year
- 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 Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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 5 years ago
- some toolkits for VASP☆35Apr 30, 2021Updated 5 years ago
- Quantum chemistry and solid state physics software package☆1,172Updated this week
- This GitHub repository contains additional information supporting published manuscripts☆21Sep 9, 2024Updated last year
- An ASE interface to Amesp☆13Oct 8, 2023Updated 2 years ago
- GUI4dft - first free SIESTA oriented GUI☆29Jul 15, 2026Updated last week
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆54Oct 22, 2023Updated 2 years ago
- p4vasp, the VASP Visualization Tool☆157May 21, 2022Updated 4 years ago
- A library of ultrasoft and PAW pseudopotentials☆104Sep 16, 2022Updated 3 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆31Aug 6, 2021Updated 4 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
- Genetic Algorithm for Structure and Phase Prediction☆20Aug 25, 2016Updated 9 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- BURAI, a GUI system of Quantum ESPRESSO☆73May 7, 2021Updated 5 years ago