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来自「一个很好的分子动力学程序」· HTML 代码 · 共 52 行
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<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 3.2 Final//EN"><HTML><HEAD> <META NAME="GENERATOR" CONTENT="SGML-Tools 1.0.9"> <TITLE>XMD - Molecular Dynamics Program: Companion Utilities</TITLE> <LINK HREF="xmd-15.html" REL=next> <LINK HREF="xmd-13.html" REL=previous> <LINK HREF="xmd.html#toc14" REL=contents></HEAD><BODY><A HREF="xmd-15.html">Next</A><A HREF="xmd-13.html">Previous</A><A HREF="xmd.html#toc14">Contents</A><HR><H2><A NAME="s14">14. Companion Utilities</A></H2><P><P>There are several utility program whichwork with XMD, either by producing input for XMD (such as ATOMCELL) orby analyzing the results from XMD (SLIP, WMOVIE). A partial listfollows.<P><DL><P><DT><B>SLIP</B><DD><P>Reads a COR or RCV file. Calculates the displacement of each atomrelative to a reference lattice, and then for each atom, it calculatesthe average displacement of it and its neighbors, and subtracts thisfrom the calculated displacement. The result is how the displacement ofan atom differs from that of its neighbors. This is useful forhighlighting slip planes.<P><DT><B> STRAIN </B><DD><P>Reads an RCV file, compares two different sets of particle positions,and calculates the relative strain between the two. Also calculates thedisplacement, the inhomogeneous displacements and variations on these.<P><DT><B>MSD</B><DD><P>Read an RCV file. Calculates the mean squared displacement at each steprelative to some initial step.<P><DT><B>VMOVIEC</B><DD><P>Views from DOS a movie file generated by WMOVIEC.<P><DT><B>WMOVIEC</B><DD><P>Reads an RCV or COR file. Generates a movie file for latter viewing byVMOVIEC.</DL><P><P><HR><A HREF="xmd-15.html">Next</A><A HREF="xmd-13.html">Previous</A><A HREF="xmd.html#toc14">Contents</A></BODY></HTML>⌨️ 快捷键说明
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