Software update: The ORCA program system—Version 5.0,Wiley Interdisciplinary Reviews: Computational Molecular Science

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Software update: The ORCA program system—Version 5.0
Wiley Interdisciplinary Reviews: Computational Molecular Science ( IF 16.8 ) Pub Date : 2022-03-07 , DOI: 10.1002/wcms.1606
Frank Neese ₁

Affiliation

Version 5.0 of the ORCA quantum chemistry program suite was released in July 2021. ORCA 5.0 represents a major improvement over all previous versions of ORCA and features (1) highly improved performance, (2) increased numerical robustness, (3) a host of new functionality, and (4) greatly improved user friendliness. The article describes the most salient features of the program.

中文翻译：

软件更新：ORCA 程序系统——5.0 版

ORCA 量子化学程序套件的 5.0 版已于 2021 年 7 月发布。ORCA 5.0 代表了对所有以前版本的 ORCA 的重大改进，并且具有 (1) 高度改进的性能，(2) 增加的数值鲁棒性，(3) 一系列新的(4) 大大提高了用户友好性。这篇文章描述了该程序最显着的特点。

更新日期：2022-03-07

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