RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations (Q1050745)
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scientific article; zbMATH DE number 3810835
| Language | Label | Description | Also known as |
|---|---|---|---|
| English | RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations |
scientific article; zbMATH DE number 3810835 |
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RATTLE: A ''velocity'' version of the SHAKE algorithm for molecular dynamics calculations (English)
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1983
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molecular dynamics
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RATTLE
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equations of motion
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SHAKE
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Verlet algorithm
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atomic velocities
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