Classical molecular dynamics: Difference between revisions
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*[[Thermostats]] | *[[Thermostats]] | ||
*[[Barostats]] | *[[Barostats]] | ||
*[[Virial pressure]] | |||
*[[LINCS]] | *[[LINCS]] | ||
*[[RATTLE]] | *[[RATTLE]] | ||
Revision as of 16:15, 6 February 2008
- Initial configuration
- Verlet leap-frog algorithm
- Velocity Verlet algorithm
- Time step
- RESPA, a multiple time step method
- Thermostats
- Barostats
- Virial pressure
- LINCS
- RATTLE
- SETTLE
- SHAKE
- WIGGLE
- Rigid bodies
- Event-driven molecular dynamics