xrd-spectra-simulation
OfficialGenerate XRD patterns from CIF structures.
AuthorInternScience
Version1.0.0
Installs0
System Documentation
What problem does it solve?
Researchers need to quickly obtain XRD patterns from crystallographic CIF files without manual calculation, enabling rapid analysis and visualization.
Core Features & Use Cases
- XRD calculation from CIF: Compute diffraction pattern using pymatgen's XRDCalculator with Cu Kα by default.
- Plot generation: Produce publication-ready PNG plots for reports or papers.
- Flexible inputs: Accepts any CIF structure file to generate corresponding spectra.
Quick Start
Run the script with a CIF file to generate the XRD spectrum image.
Dependency Matrix
Required Modules
None requiredComponents
Standard package💻 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: xrd-spectra-simulation Download link: https://github.com/InternScience/ChemClaw/archive/main.zip#xrd-spectra-simulation Please download this .zip file, extract it, and install it in the .claude/skills/ directory.
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