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yalefield金虫 (文坛精英)
老汉一枚
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[交流]
【分享】为可怜灵魂置备的计算化学工具软件-Aten
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Aten is a tool for computational chemists, molecular dynamicists, or other poor souls who find themselves wondering if there is an easier way to create and edit the suitable atomic configurations they need, be it for the purposes of their research or, indeed, pleasure (but this would be a little worrying). More so, Aten was created for those (well, principally me) who wonder if there is tool that can handle periodic systems well. At the time of Aten's inception the answer was, in my opinion, 'No'. Aten attempts to at least partially fill this void. Aten can: ◦Edit molecules and multi-molecule configurations, or build them from scratch ◦Handle periodic configurations such as crystals and condensed phases such as liquids ◦Be fully scripted / automated ◦Import/export coordinates in the format of your choice with its Filters system ◦Run on Linux, Mac, and Windows http://www.projectaten.net/tiki-custom_home.php |
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