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abinitio:ase_atom_man

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--- abinitio:ase_atom_man [2022/08/24 11:11] – kimi
+++ abinitio:ase_atom_man [2022/08/24 11:25] (現在) – [class Atom] kimi
@@ 行 1: / 行 1: @@
-====== class Atom ======
+====== Atom Object　======
+Class for representing a single atom.
+===== Parameters =====
+^symbol |str or int |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 =====
 <html>
@@ 行 5: / 行 17: @@
 <tbody>
 <tr>
-<td width="100%"><dl></dl>
- <p>
+<td width="100%">defined here:<br>
-<table summary="section" border="0" cellpadding="2" cellspacing="0" width="100%">
-<tbody><tr bgcolor="#ffc8d8">
-<td colspan="3" valign="bottom">&nbsp;<br>
-<font color="#000000" face="helvetica, arial"><a name="Atom"></a>(<a href="__builtin__.html#object">__builtin__.object</a>)</font></td></tr>
-<tr bgcolor="#ffc8d8"><td rowspan="2"><tt>&nbsp;&nbsp;&nbsp;</tt></td>
-<td colspan="2"><tt>Class&nbsp;for&nbsp;representing&nbsp;a&nbsp;single&nbsp;atom.<br>
-&nbsp;<br>
-Parameters:<br>
-&nbsp;<br>
-symbol:&nbsp;str&nbsp;or&nbsp;int<br>&nbsp;&nbsp;&nbsp;&nbsp;Can&nbsp;be&nbsp;a&nbsp;chemical&nbsp;symbol&nbsp;(str)&nbsp;or&nbsp;an&nbsp;atomic&nbsp;number&nbsp;(int).<br>
-position:&nbsp;sequence&nbsp;of&nbsp;3&nbsp;floats<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Atomi&nbsp;position.<br>
-tag:&nbsp;int<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Special&nbsp;purpose&nbsp;tag.<br>
-momentum:&nbsp;sequence&nbsp;of&nbsp;3&nbsp;floats<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Momentum&nbsp;for&nbsp;atom.<br>
-mass:&nbsp;float<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Atomic&nbsp;mass&nbsp;in&nbsp;atomic&nbsp;units.<br>
-magmom:&nbsp;float&nbsp;or&nbsp;3&nbsp;floats<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Magnetic&nbsp;moment.<br>
-charge:&nbsp;float<br>
-&nbsp;&nbsp;&nbsp;&nbsp;Atomic&nbsp;charge.<br>&nbsp;</tt></td></tr>
-<tr><td>&nbsp;</td>
-<td width="100%">Methods defined here:<br>

abinitio/ase_atom_man.1661307111.txt.gz · 最終更新: 2022/08/24 11:11 by kimi