Abstract
Abstract Comparisons have been made between relaxation methods and certain preconditioned conjugate gradient techniques for solving the system of linear equations arising from the finite‐difference form of the linearized Poisson‐Boltzmann equation. The incomplete Cholesky conjugate gradient (ICCG) method of Meijerink and van der Vorst has been found to be superior to relaxation methods, with at least a factor of two improvement in speed, and only a 50% increase in storage.
Keywords
Cholesky decompositionConjugate gradient methodDerivation of the conjugate gradient methodRelaxation (psychology)ConjugateMathematicsConjugate residual methodNonlinear conjugate gradient methodBoltzmann equationFinite differenceApplied mathematicsPoisson's equationIncomplete Cholesky factorizationFinite difference methodPoisson distributionMathematical analysisGradient descentPhysicsMathematical optimizationComputer scienceThermodynamicsQuantum mechanics
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Publication Info
- Year
- 1989
- Type
- article
- Volume
- 10
- Issue
- 3
- Pages
- 386-391
- Citations
- 210
- Access
- Closed
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Cite This
Malcolm E. Davis,
J. Andrew McCammon
(1989).
Solving the finite difference linearized Poisson‐Boltzmann equation: A comparison of relaxation and conjugate gradient methods.
Journal of Computational Chemistry
, 10
(3)
, 386-391.
https://doi.org/10.1002/jcc.540100313
Identifiers
- DOI
- 10.1002/jcc.540100313