使用期限租赁版
许可形式单机版
原产地美国
介质下载
适用平台Windows
北京天演融智软件有限公司（科学软件网）前身是北京世纪天演科技有限公司，成立于2001年，专注为国内高校、科研院所和以研发为主的企事业单位提供科研软件和服务的国家。
For each element all available data is extracted from the file: atomic coordinates, energy gradient, etc. All elements are presented in hierarchical list (see fig. 1). Clicking on the elements of the list automatically displays individual geometries or modes on the image and allows different properties to be visualized.
The program combines advanced graphical user interface and wholesome features designed for practical use. Chemcraft provides very detailed structured visualization of output files, based on dividing a file into separate elements and presenting them in an hierarchical multi-level list; this feature allows one to easily analyze complicated files, such as scan jobs, IRC jobs, or multi-job calculations. The graphical engine of Chemcraft does not require any hardware acceleration.
The "Tools/Create input file/GAMESS-US…" menu item allows a section of GAMESS-US input file with non-standard basis sets to be obtained quickly. The sections $DATA, $ECP are created from descriptions of basis sets in text format, which can be obtained at PNNL's Basis Set Order Form webpage
For energy scan or IRC calculations, all geometries are divided into groups by scan/IRC steps. Besides graphical presentation of data, Chemcraft outlines the most essential parts of output file and shows a brief "abstract" for each element of the file.
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