In this first tutorial you will learn how to install Atomsk on your computer, and how to run it.
太长不看版
下载安装。我的安装位置C:\Software\Software for Materials\Atomsk
按 win+X 打开 Windows Power Shell.
在命令行中输入
1 | cd 'C:\Software\Software for Materials\Atomsk' |
切换到可执行文件atomsk.exe所在目录。
在命令行中输入
1 | & "C:\Software\Software for Materials\Atomsk\atomsk.exe" --create fcc 4.02 Al aluminium.xsf |
即可创建一个Al的种子文件。
在命令行中输入
1 | & "C:\Software\Software for Materials\Atomsk\atomsk.exe" --polycrystal aluminium.xsf polycrystal.txt |
即可基于Al的种子文件创建Al的多晶体。
英文原版
For Microsoft® Windows® systems
First, download the Microsoft® Windows® version of Atomsk from the Web site: http://atomsk.univ-lille1.fr/dl.php
Second, unzip the archive by doing a right-click on the file, and choosing “Extract here”.
Third, enter the directory named “atomsk_b0.xx_Windows” and run the installation setup. That will install Atomsk in the folder “C:\Program Files (x86)\Atomsk" by default (or the folder “C:\Program Files\Atomsk" if you are running a 32-bits version of Windows®).
WARNING: you should not run Atomsk from the Windows® menu! If you just click on Atomsk from the Windows® menu, then Atomsk will run in interactive mode, where only a limited set of commands can be used (see documentation).
To run Atomsk, go to the Windows menu, click Accessories, and open Windows® Power Shell. Once in the shell, you can run Atomsk by entering its full path, and your arguments. For instance, if you wish to create a unit cell of fcc aluminium, the command should look like the following (the actual path to Atomsk may depend on your version of Windows® and on the options you chose during installation):
& “C:\Program Files (x86)\Atomsk\atomsk.exe” –create fcc 4.02 Al aluminium.xsf