evo-crystallography-wyckoff-analysis
De la autor
Parses CIF files using pymatgen, performs space group symmetry analysis via SpacegroupAnalyzer, and extracts Wyckoff position letters, multiplicities, and representative atom fractional coordinates from the symmetrized structure.
Instalare
npx skills add OpenLAIR/OpenSkill --skill evo-crystallography-wyckoff-analysis -a claude-code
Se instalează în .claude/skills/evo-crystallography-wyckoff-analysis/ · Fiecare comandă descarcă skill-ul direct de pe GitHub cu utilitarul open source skills.
Identic octet cu octet cu commit-ul scanat, cu licența depozitului și un fișier SOURCE.txt.
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Verificări de siguranță pe SKILL.md
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De ce 75
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Skill-uri similare
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- pymatgen-structurejinzhezenggroup/computational-chemistry-agent-skillsStructure manipulation and crystal analysis workflows based on pymatgen. USE WHEN you need to read/write common atomistic formats (CIF, POSCAR, XYZ), build supercells, perform site substitution/doping, inspect symmetry (space group), or compute local structure descriptors for materials tasks.Redactare★ 154
- alterlab-pymatgenAlterLab-IEU/AlterLab-Academic-SkillsAnalyzes and manipulates materials with the pymatgen toolkit — crystal structures and molecules, phase diagrams and thermodynamic stability, electronic structure (band structures, DOS), surfaces and interfaces, and Materials Project database access. Use when working with crystal structures in materials science, converting between structure formats (CIF, POSCAR, XYZ), analyzing symmetry or space groups, computing phase diagrams, querying the Materials Project API, or handling VASP, Gaussian, or Quantum ESPRESSO output. Part of the AlterLab Academic Skills suite.Date★ 78
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