🔬 将 VASP 的 CONTCAR/POSCAR 转为 VESTA (.vesta) 并后台静默导出结构图片 | Convert CONTCAR/POSCAR to .vesta and export images (hidden-window / quasi-headless, quality via scale)
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Updated
Sep 26, 2026 - Python
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contcar
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VASP CONTCAR 旋转 GIF 工作台：PySide6 + 3Dmol.js，交互式 3D 预览 / 周期表元素配色 / 正交投影旋转，一键导出旋转 GIF 动图。
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Sep 23, 2026 - Python
批量把 VASP CONTCAR/POSCAR 转 VESTA 出图（俯视图+侧视图）并自动整理成 PPT + 原子图例页，保持相对目录结构 · iOS 风格 GUI (PySide6)。A batch VESTA image/PPT generator for VASP CONTCAR/POSCAR.
python gui automation dft vesta vasp crystallography computational-chemistry poscar materials-science ppt pyside6 contcar structure-visualization
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Oct 9, 2026 - Python
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