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Explicit reversible integrators for extended systems dynamics.
- Source :
-
Molecular Physics . 4/10/96, Vol. 87 Issue 5, p1117-1157. 41p. - Publication Year :
- 1996
-
Abstract
- Explicit reversible integrators, suitable for use in large-scale computer simulations, are derived for extended systems generating the canonical and isothermal-isobaric ensembles. The new methods are compared with the standard implicit (iterative) integrators on some illustrative example problems. In addition, modification of the proposed algorithms for multiple time step integration is outlined. [ABSTRACT FROM AUTHOR]
- Subjects :
- *INTEGRATORS
*SET theory
Subjects
Details
- Language :
- English
- ISSN :
- 00268976
- Volume :
- 87
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Molecular Physics
- Publication Type :
- Academic Journal
- Accession number :
- 7612714
- Full Text :
- https://doi.org/10.1080/00268979600100761