home/categories/scientific-computing/jinzhezenggroup-computational-chemistry-agent-skills-data-processing-pymatgen-structure-skill-md
scientific-computingresearch
pymatgen-structure
Structure 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.
maintainer
jinzhezenggroup
اپ ڈیٹ ہوا 3/23/2026
اسٹارز
32
فورکس
10
quick start
Installation and usage
Structure 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.
انسٹالیشن
$ install --globalskills.sh
استعمال
انسٹال کرنے کے بعد، آپ یہ اسکل ٹرمینل میں درج ذیل کمانڈ چلا کر استعمال کر سکتے ہیں:
skills use pymatgen-structure