pymatgen
CommunityMaster materials science with Python.
Education & Research#vasp#crystallography#materials science#computational chemistry#structure analysis#materials project
AuthorRowtion
Version1.0.0
Installs0
System Documentation
What problem does it solve?
This Skill simplifies complex materials science tasks, from structure manipulation and analysis to computational workflow setup, eliminating the need for deep expertise in individual computational tools.
Core Features & Use Cases
- Structure Analysis: Analyze crystal structures, identify symmetry, and determine coordination environments.
- Computational Workflows: Set up and manage calculations for VASP, Gaussian, and other codes.
- Materials Project Integration: Seamlessly query and utilize data from the Materials Project database.
- Use Case: A researcher needs to analyze the crystal structure of a new material, calculate its band gap, and then set up a VASP calculation to predict its properties. This Skill can perform all these steps efficiently.
Quick Start
Use the pymatgen skill to analyze the structure from the file 'POSCAR'.
Dependency Matrix
Required Modules
pymatgenmp-api
Components
scriptsreferences
💻 Claude Code Installation
Recommended: Let Claude install automatically. Simply copy and paste the text below to Claude Code.
Please help me install this Skill: Name: pymatgen Download link: https://github.com/Rowtion/Bioclaw/archive/main.zip#pymatgen Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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