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
|
| Subjects: | |
| Online Access: |
https:/data.mendeley.com/datasets/6jz3575gwc |
| ctrlnum |
0.17632-6jz3575gwc.1 |
|---|---|
| fullrecord |
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<dc><creator>CPC, Mendeley</creator><title>An object oriented Python interface for atomistic simulations </title><publisher>Mendeley</publisher><description>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)</description><subject>Physical Chemistry</subject><subject>Surface Science</subject><subject>Condensed Matter Physics</subject><subject>Molecular Physics</subject><subject>Computational Physics</subject><subject>Computational Method</subject><contributor>Hynninen, T.</contributor><contributor>Himanen, L.</contributor><contributor>Parkkinen, V.</contributor><contributor>Musso, T.</contributor><contributor>Corander, J.</contributor><contributor>Foster, A.S.</contributor><type>Other:Dataset</type><identifier>10.17632/6jz3575gwc.1</identifier><rights>Computer Physics Communications Journal Licence</rights><rights>https://www.elsevier.com/about/policies/open-access-licenses/elsevier-user-license/cpc-license/</rights><relation>https:/data.mendeley.com/datasets/6jz3575gwc</relation><date>2016-01-01T12:00:00Z</date><recordID>0.17632-6jz3575gwc.1</recordID></dc>
|
| format |
Other:Dataset Other |
| author |
CPC, Mendeley |
| author2 |
Hynninen, T. Himanen, L. Parkkinen, V. Musso, T. Corander, J. Foster, A.S. |
| title |
An object oriented Python interface for atomistic simulations |
| publisher |
Mendeley |
| publishDate |
2016 |
| topic |
Physical Chemistry Surface Science Condensed Matter Physics Molecular Physics Computational Physics Computational Method |
| url |
https:/data.mendeley.com/datasets/6jz3575gwc |
| contents |
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) |
| id |
IOS7969.0.17632-6jz3575gwc.1 |
| institution |
Universitas Islam Indragiri |
| affiliation |
onesearch.perpusnas.go.id |
| institution_id |
804 |
| institution_type |
library:university library |
| library |
Teknologi Pangan UNISI |
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2816 |
| collection |
Artikel mulono |
| repository_id |
7969 |
| city |
INDRAGIRI HILIR |
| province |
RIAU |
| shared_to_ipusnas_str |
1 |
| repoId |
IOS7969 |
| first_indexed |
2020-04-08T08:31:15Z |
| last_indexed |
2020-04-08T08:31:15Z |
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dc |
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1686587760494772224 |
| score |
17.538404 |