Calculating complex interactions in molecular dynamics simulations employing Lagrangian particle tracking schemes (Q1326701)
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scientific article; zbMATH DE number 569516
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | Calculating complex interactions in molecular dynamics simulations employing Lagrangian particle tracking schemes |
scientific article; zbMATH DE number 569516 |
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Calculating complex interactions in molecular dynamics simulations employing Lagrangian particle tracking schemes (English)
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18 May 1994
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We describe some general features of Lagrangian particle tracking and the method of table look-up that are important for calculating many different types of interactions of arbitrary complexity in large molecular dynamics simulations. We examine the relationship between Lagrangian indexing and list indexing of data and how this influences the complexity of programming structures for effecting vector operations.
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method of table look-up
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Lagrangian indexing
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list indexing
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programming structures
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vector operations
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0.6921851634979248
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