Source codes of the 1st VASPKIT-PAPATERA CUP Awards
☆27Sep 27, 2019Updated 6 years ago
Alternatives and similar repositories for 1st_VASPKIT_CUP
Users that are interested in 1st_VASPKIT_CUP are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆19May 30, 2019Updated 7 years ago
- Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.☆18Dec 8, 2022Updated 3 years ago
- ☆23Apr 16, 2020Updated 6 years ago
- ☆12Feb 28, 2020Updated 6 years ago
- A script for calculating Fermi-Softness.☆13Feb 17, 2022Updated 4 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- cif2cell compatible with Python 3+☆12Sep 30, 2022Updated 3 years ago
- Embedding module for VASP and tools for its use.☆11Jul 1, 2026Updated last month
- Unfolding the band structure of a supercell obtained with VASP☆26Dec 28, 2022Updated 3 years ago
- ☆24Nov 10, 2020Updated 5 years ago
- Correlation: A high-performance, Material Design GUI tool for the structural and dynamic analysis of liquids, amorphous solids, and cryst…☆22Aug 4, 2026Updated last week
- quick analysis of vasp calculation☆38Jun 7, 2024Updated 2 years ago
- ☆16Feb 27, 2020Updated 6 years ago
- ☆116Oct 13, 2022Updated 3 years ago
- This code deals with MD trajectory from VASP. It calculates lattice parameters, RMSD, and coordination number and also generates .xyz out…☆11Oct 11, 2021Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆12Apr 11, 2021Updated 5 years ago
- DFT post processing tools☆26Jul 24, 2024Updated 2 years ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆25Sep 9, 2022Updated 3 years ago
- ☆25May 7, 2026Updated 3 months ago
- Python package that enables high throughput analysis of interfaces(two dimensional materials, hetero-structures, nanoparticles with and w…☆76Feb 3, 2024Updated 2 years ago
- Useful scripts for VASP☆206Dec 28, 2021Updated 4 years ago
- A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.☆45Sep 28, 2024Updated last year
- extract third order force constants from TDEP output☆10Jun 22, 2020Updated 6 years ago
- Bash and Python scripts to perform simple post-processing and analyses on VASP calculation outputs.☆25Dec 10, 2017Updated 8 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.
- A user friendly tools using Monte Carlo simulations for estimation of Curie temperature☆94Apr 3, 2025Updated last year
- Berry curvature and Chern number calculations with the output (WAVECAR) of VASP code☆86Aug 3, 2025Updated last year
- A Python library for electronic structure pre/post-processing☆218Jan 29, 2026Updated 6 months ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论，…☆67Aug 27, 2021Updated 4 years ago
- Script library mainly about chemical physics.☆26Jun 15, 2025Updated last year
- This software package simulates the reduction of graphene oxide and calculates the optical response of the generated sp2 domains☆11Dec 22, 2016Updated 9 years ago
- Python program for analyzing the output files of phonopy.☆15Sep 14, 2021Updated 4 years ago
- Pymatgen-based script to collect structural descriptors from many atomic structures.☆13Nov 29, 2025Updated 8 months ago
- First-principles calculated elastic and mechanical properties of 2D materials and their heterostructures☆16Mar 5, 2024Updated 2 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- band plot using python matplotlib☆186Oct 30, 2024Updated last year
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 3 years ago
- Generate isosurface from density data☆14May 21, 2026Updated 2 months ago
- A tool to draw Graphene Oxide 3D chemical structures. (Python 2.7)☆11Nov 27, 2017Updated 8 years ago
- Manager for first-principles calculations☆18Jun 30, 2026Updated last month
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆115Feb 22, 2022Updated 4 years ago
- Esercitazioni DFT con quantum espresso☆15Jun 4, 2024Updated 2 years ago