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北美退伍军人节(Veterans Day),12 日无更新
arXiv 1104.4601cs.DL
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ChemXSeer数字图书馆高斯搜索

ChemXSeer Digital Library Gaussian Search

Shibamouli Lahiri, Juan Pablo Fernández Ramírez, Shikha Nangia, Prasenjit Mitra, C. Lee Giles, Karl T. Mueller

摘要:

我们报告的高斯文件搜索系统设计的ChemXSeer数字图书馆的一部分。高斯文件由高斯软件[4]产生,高斯软件是一种用于计算分子电子结构和性质的软件包。输出文件是半结构化的,允许相对容易地访问高斯属性和元数据。我们的系统目前能够使用原子(化学元素)和属性的布尔组合搜索高斯文档。我们还实现了三个重要的高斯属性类型的分面浏览功能-基集,作业类型和使用的方法。分面浏览功能使用户能够查看和处理文档的较小的过滤子集。

英文摘要:

We report on the Gaussian file search system designed as part of the ChemXSeer digital library. Gaussian files are produced by the Gaussian software [4], a software package used for calculating molecular electronic structure and properties. The output files are semi-structured, allowing relatively easy access to the Gaussian attributes and metadata. Our system is currently capable of searching Gaussian documents using a boolean combination of atoms (chemical elements) and attributes. We have also implemented a faceted browsing feature on three important Gaussian attribute types - Basis Set, Job Type and Method Used. The faceted browsing feature enables a user to view and process a smaller, filtered subset of documents.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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