Journal
COMPUTER PHYSICS COMMUNICATIONS
Volume 231, Issue -, Pages 45-61Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cpc.2018.05.005
Keywords
Visualization; Atomistic; Electronic charge density; Fluid
Funding
- FP7 program of the European Commission [FP7-NMP-2013-SMALL-7, 604005]
- program Plan Avanza from the Ministerio de Industria, Energia y Comercio from Gobierno de Espana [TSI-020100-2011-300]
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We describe three distinct approaches to visualization for multiscale materials modelling research. These have been developed with the framework of the SimPhoNy FP7 EU-project, and complement each other in their requirements and possibilities. All have been integrated via wrappers to one or more of the simulation approaches within the SimPhoNy project. In this manuscript we describe and contrast their features. Together they cover visualization needs from electronic to macroscopic scales and are suited to simulations made on personal computers, workstations or advanced High Performance parallel computers. Examples as well as recommendations for future calculations are presented. (C) 2018 Elsevier B.V. All rights reserved.
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