Title of article
Object-oriented construction of a multigrid electronic-structure code with Fortran 90 Original Research Article
Author/Authors
Yong-Hoon Kim، نويسنده , , In-Ho Lee، نويسنده , , Richard M. Martin، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 2000
Pages
16
From page
10
To page
25
Abstract
We describe the object-oriented implementation of a higher-order finite-difference density-functional code in Fortran 90. Object-oriented models of grid and related objects are constructed and employed for the implementation of an efficient one-way multigrid method we have recently proposed for the density-functional electronic-structure calculations. Detailed analysis of performance and strategy of the one-way multigrid scheme will be presented.
Keywords
Scientific computing , Fortran 90 , Multigrid , Electronic structure , Object-oriented programming , Density-functional theory
Journal title
Computer Physics Communications
Serial Year
2000
Journal title
Computer Physics Communications
Record number
1135464
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