VASP Bader 电荷可视化工作台：ACF.dat + POSCAR → 交互式 3D 结构 · 旋转 GIF · 独立 HTML 报告 | Interactive Bader charge viewer & GIF/HTML report generator (PySide6 + 3Dmol.js)
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Sep 24, 2026 - Python
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charge-analysis
Here are 3 public repositories matching this topic...
Public release of Cigal Concepts' internal tool for reviewing and refining facility-level E/M charge accuracy in emergency departments.
open-source matrix healthcare emergency-department noncommercial documentation-support coding-audit charge-analysis hospital-tool
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Jul 28, 2025
A browser-based 3D analyzer for POSCAR and ACF.dat Bader charge visualization using Three.js.
visualization threejs chemistry vasp crystal-structure materials-science charge-analysis bader-charge acf-dat
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May 25, 2026 - HTML
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