abinitio:ase_atom_man
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| 両方とも前のリビジョン前のリビジョン次のリビジョン | 前のリビジョン | ||
| abinitio:ase_atom_man [2022/08/24 11:17] – kimi | abinitio:ase_atom_man [2022/08/24 11:25] (現在) – [class Atom] kimi | ||
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| - | ====== | + | ====== Atom Object ====== |
| - | Class& for representing a single atom. | + | Class for representing a single atom. |
| ===== Parameters ===== | ===== Parameters ===== | ||
| ^symbol |str or int |Can be a chemical symbol (str) or an atomic number (int). | | ^symbol |str or int |Can be a chemical symbol (str) or an atomic number (int). | | ||
| 行 9: | 行 9: | ||
| ^magmom |float or 3 floats |Magnetic moment. | | ^magmom |float or 3 floats |Magnetic moment. | | ||
| ^charge |float |Atomic charge. | ^charge |float |Atomic charge. | ||
| + | |||
| + | ===== Methods ===== | ||
| + | |||
| + | |||
| < | < | ||
| <table summary=" | <table summary=" | ||
| < | < | ||
| <tr> | <tr> | ||
| - | <td width=" | + | |
| - | < | + | <td width=" |
| - | <table summary=" | + | |
| - | < | + | |
| - | <td colspan=" | + | |
| - | <font color="# | + | |
| - | + | ||
| - | <tr bgcolor="# | + | |
| - | <td colspan=" | + | |
| - | & | + | |
| - | < | + | |
| - | & | + | |
| - | symbol:& | + | |
| - | position:& | + | |
| - | & | + | |
| - | tag:& | + | |
| - | & | + | |
| - | momentum:& | + | |
| - | & | + | |
| - | mass:& | + | |
| - | & | + | |
| - | magmom:& | + | |
| - | & | + | |
| - | charge:& | + | |
| - | & | + | |
| - | < | + | |
| - | <td width=" | + | |
abinitio/ase_atom_man.1661307455.txt.gz · 最終更新: 2022/08/24 11:17 by kimi