dorsal/arxiv
View SchemaObject-oriented construction of a multigrid electronic-structure code with Fortran 90
| Authors | Yong-Hoon Kim, In-Ho Lee, Richard M. Martin |
|---|---|
| Categories | |
| ArXiv ID | physics/9911031 |
| URL | https://arxiv.org/abs/physics/9911031 |
| DOI | 10.1016/S0010-4655(00)00056-4 |
| Journal | Comput. Phys. Commun. 131, 10-25 (2000) |
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.
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"abstract": "We describe the object-oriented implementation of a higher-order\nfinite-difference density-functional code in Fortran 90. Object-oriented models\nof grid and related objects are constructed and employed for the implementation\nof an efficient one-way multigrid method we have recently proposed for the\ndensity-functional electronic-structure calculations. Detailed analysis of\nperformance and strategy of the one-way multigrid scheme will be presented.",
"arxiv_id": "physics/9911031",
"authors": [
"Yong-Hoon Kim",
"In-Ho Lee",
"Richard M. Martin"
],
"categories": [
"physics.comp-ph",
"cond-mat.mtrl-sci"
],
"doi": "10.1016/S0010-4655(00)00056-4",
"journal_ref": "Comput. Phys. Commun. 131, 10-25 (2000)",
"title": "Object-oriented construction of a multigrid electronic-structure code with Fortran 90",
"url": "https://arxiv.org/abs/physics/9911031"
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