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北京石油化工学院2026年研究生招生接收调剂公告
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anyipeng

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[交流] 【讨论】关于“Color by”的一些问题

在用VNL可视化结果文件时,在“Color by”的右侧下拉菜单由三个选项 " Value, Magnitude, Sign" ,大家是如何选取这个值的,有时候选不同的Value或Magnitude或Sign,下面的"Show colorbar" 的两端的数值会发生变化,可否详细介绍一下这三者的区别!
说明书中是这莫说的:
Magnitude: available for all types of functions.
Phase: available for complex functions, such as wave functions.
Sign: available for real functions.
Value: available for real functions.

对这个还不很明白,欢迎大家来讨论!谢谢!
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Rosen-luo

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zdhlover(金币+3,VIP+0):谢谢转载,欢迎讨论交流
anyipeng(金币+1,VIP+0):谢谢!good idea!
你可以将你在Quantum wise上得到的部分讨论结果,叫大家一起来探讨下。

For a 3D grid with real data (such as the electron density) you can for each type of plot (isosurface, volume plot, contour plot) choose how the data values will be mapped to colors in the plot.


Value: The color is determined by the value of the data in each point; probably the most useful option in most cases.
Magnitude: The color is determined by the absolute value of the data in each point.
Sign: The color is determined by the sign of the data in each point; this make sense mostly for volume plots, or when it is of specific interest to see where the values are >0 or <0 (for instance if the data represents a difference density)

For complex data (Bloch functions), there is additionally an option to color the data by the phase. In this case the "Value" option is not available, only the Magnitude of a complex number makes sense.

For each option, the data values are mapped linearly onto the colormap (there are a couple of different ones available) to color the plot. The numerical max and min values of the data set are shown in the corresponding boxes (if Value is used), but by entering different values you can "zoom" in/out in color in order to highlight specific features in the data.

The best way to figure out which plot that works best for your specific case is typically to play around with the options and see how the plot changes (click the Show button to see the effect). Note that for performance reasons only one volume plot can be shown at the time.

Anders的这个解释我觉得还是很详细的。
2楼2009-01-04 09:12:27
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