An object oriented Python interface for atomistic simulations
| Main Author: | CPC, Mendeley |
|---|---|
| Other Authors: | Hynninen, T., Himanen, L., Parkkinen, V., Musso, T., Corander, J., Foster, A.S. |
| Format: | Dataset |
| Terbitan: |
Mendeley
, 2016
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| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/6jz3575gwc |
Daftar Isi:
- Abstract Programmable simulation environments allow one to monitor and control calculations efficiently and automatically before, during, and after runtime. Environments directly accessible in a programming environment can be interfaced with powerful external analysis tools and extensions to enhance the functionality of the core program, and by incorporating a flexible object based structure, the environments make building and analysing computational setups intuitive. In this work, we present a classi... Title of program: Pysic Catalogue Id: AEYE_v1_0 Nature of problem Automated simulation control, interaction tuning and an intuitive interface for running atomistic simulations. Versions of this program held in the CPC repository in Mendeley Data AEYE_v1_0; Pysic; 10.1016/j.cpc.2015.09.010 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)