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{{Short description|time-stepping algorithm in molecular dynamics}}
{{Short description|Time-stepping algorithm in molecular dynamics}}
'''Reversible reference system propagation algorithm (r-RESPA)''' is a [[time stepping]] [[algorithm]] used in [[molecular dynamics]].<ref>AR Leach. ''Molecular modelling: principles and applications'' 1998, p. 363</ref>
'''Reversible reference system propagation algorithm (r-RESPA)''' is a [[time stepping]] [[algorithm]] used in [[molecular dynamics]].<ref>AR Leach. ''Molecular modelling: principles and applications'' 1998, p. 363</ref>



Revision as of 07:50, 11 February 2022

Reversible reference system propagation algorithm (r-RESPA) is a time stepping algorithm used in molecular dynamics.[1]

It evolves the system state over time,

where the L is the Liouville operator.

References

  1. ^ AR Leach. Molecular modelling: principles and applications 1998, p. 363