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AtomEye: an efficient atomistic configuration viewer

机译:AtomEye:高效的原子配置查看器

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摘要

AtomEye is free atomistic visualization software for all major UNIX platforms. It is based on a newly developed graphics core library of higher quality than the X-window standard, with area-weighted anti-aliasing. An order-N neighbourlist algorithm is used to compute the bond connectivity. The functionalities of AtomEye include: parallel and perspective projections with full three-dimensional navigation; customizable bond and coordination number calculation; colour-encoding of arbitrary user-defined quantities; local atomic strain invariant; coloured atom tiling and tracing; up to 16 cutting planes; periodic boundary condition translations; high-quality JPEG, PNG and EPS screenshots; and animation scripting. The program is efficient compared to OpenGL hardware acceleration by employing special algorithms to treat spheres (atoms) and cylinders (bonds), in which they are rendered as primitive objects rather than as composites of polygons. AtomEye can handle more than one million atoms on a PC with 1 GB memory. It is a robust, low-cost tool for surveying nanostructures and following their evolutions. [References: 13]
机译:AtomEye是适用于所有主要UNIX平台的免费原子可视化软件。它基于新开发的图形核心库,具有比X-window标准更高的质量,并具有区域加权抗锯齿功能。 N阶邻居列表算法用于计算键连接性。 AtomEye的功能包括:具有完整三维导航的平行和透视投影;可定制的债券和协调号计算;用户定义的任意数量的颜色编码;局部原子应变不变彩色原子平铺和跟踪;多达16个切割平面;周期性边界条件转换;高质量的JPEG,PNG和EPS屏幕截图;和动画脚本。与OpenGL硬件加速相比,该程序通过采用特殊算法来处理球体(原子)和圆柱体(键),从而将它们呈现为原始对象而不是多边形的合成,因此该程序是高效的。 AtomEye在具有1 GB内存的PC上可以处理超过一百万个原子。它是一种强大的低成本工具,可用于调查纳米结构并跟踪其演变。 [参考:13]

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