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associated with them, often in the form of a dipole. Charges on atoms |
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are not currently suported by {\sc oopse}. |
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|
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+ |
\begin{lstlisting}[caption={[Specifier for molecules and atoms] An example specifing the simple Ar molecule},label=sch:AtmMole] |
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molecule{ |
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name = "Ar"; |
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nAtoms = 1; |
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+ |
atom[0]{ |
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type="Ar"; |
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position( 0.0, 0.0, 0.0 ); |
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} |
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} |
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\end{lstlisting} |
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+ |
|
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The second most basic building block of a simulation is the |
| 26 |
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molecule. The molecule is a way for {\sc oopse} to keep track of the |
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atoms in a simulation in logical manner. This particular unit will |
