Editing Molecular dynamics
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 1: | Line 1: | ||
*[[Ab initio molecular dynamics]] | *[[Ab initio molecular dynamics]] | ||
*[[Barostats]] | *[[Barostats]] | ||
*[[Beeman's algorithm]] | *[[Beeman's algorithm]] | ||
*[[Car-Parrinello technique]] | *[[Car-Parrinello technique]] | ||
*[[Charge equilibration for molecular dynamics simulations | Charge equilibration]] | *[[Charge equilibration for molecular dynamics simulations | Charge equilibration]] | ||
*[[ | *Constraints: | ||
*[[ | **[[LINCS]] | ||
**[[RATTLE]] | |||
**[[SETTLE]] | |||
**[[SHAKE]] | |||
***[[M-SHAKE]] | |||
***[[P-SHAKE]] | |||
***[[Q-SHAKE]] | |||
***[[RD-SHAKE]] | |||
**[[WIGGLE]] | |||
*[[Event-driven molecular dynamics]] | *[[Event-driven molecular dynamics]] | ||
*[[GWTS algorithm]] | *[[GWTS algorithm]] | ||
*[[Initial configuration]] | *[[Initial configuration]] | ||
*[[Integrators for molecular dynamics]] | *[[Integrators for molecular dynamics]] | ||
*[[Liouville-von Neumann molecular dynamics]] | *[[Liouville-von Neumann molecular dynamics]] | ||
*[[Materials modelling and computer simulation codes]] | *[[Materials modelling and computer simulation codes]] | ||
*[[Milestoning]] | *[[Milestoning]] | ||
*[[Multi-particle collision dynamics]] | *[[Multi-particle collision dynamics]] | ||
*[[Non-equilibrium molecular dynamics]] (NEMD) | *[[Non-equilibrium molecular dynamics]] (NEMD) | ||
*[[ | *[[Rigid bodies]] | ||
*[[Thermostats]] | *[[Thermostats]] | ||
*[[Time step]] | *[[Time step]] | ||
Line 29: | Line 30: | ||
*[[Verlet leap-frog algorithm]] | *[[Verlet leap-frog algorithm]] | ||
*[[Virial pressure]] | *[[Virial pressure]] | ||
==General reading== | ==General reading== | ||
*[http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)] Chapter 3. | *[http://www.oup.com/uk/catalogue/?ci=9780198556459 M. P. Allen and D. J. Tildesley "Computer Simulation of Liquids", Oxford University Press (1989)] Chapter 3. |