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Mechanics
Subsections
- Integrating the Equations of Motion: the DLM method
- Extended Systems for other Ensembles
- Nosé-Hoover Thermostatting
- Constant-pressure integration with isotropic box deformations (NPTi)
- Constant-pressure integration with a flexible box (NPTf)
- Constant pressure in 3 axes (NPTxyz)
- Constraint Methods
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Updated on January 16, 2006