seminar:atom_object
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| seminar:atom_object [2020/08/18 14:10] – [Classes] kimi | seminar:atom_object [2022/08/23 13:34] (現在) – 外部編集 127.0.0.1 | ||
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| 行 17: | 行 17: | ||
| Atom | Atom | ||
| - | class Atom(__builtin__.object) | + | ===== class Atom(__builtin__.object) |
| Class for representing a single atom. | Class for representing a single atom. | ||
| - | Parameters: | + | ==== Parameters: |
| - | + | ||
| - | symbol: str or int | + | ^Name^Type^Description^ |
| - | Can be a chemical symbol (str) or an atomic number (int). | + | |'' |
| - | position: sequence of 3 floats | + | |'' |
| - | Atomi position. | + | |'' |
| - | tag: int | + | |'' |
| - | Special purpose tag. | + | |'' |
| - | momentum: sequence of 3 floats | + | |'' |
| - | Momentum for atom. | + | |'' |
| - | mass: float | + | |
| - | Atomic mass in atomic units. | + | |
| - | magmom: float or 3 floats | + | |
| - | Magnetic moment. | + | |
| - | charge: float | + | |
| - | Atomic charge. | + | |
| ==== Methods defined here: ==== | ==== Methods defined here: ==== | ||
seminar/atom_object.1597727422.txt.gz · 最終更新: 2022/08/23 13:34 (外部編集)