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documentation [2015/05/12 10:11] – macke | documentation [2015/05/12 10:12] – [Functions for convertcrystal] macke | ||
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- | The tool convertcrystal converts crystal files in the format .xyz to an output that is usable for multemX. | + | The tool convertcrystal converts crystal files in the format .xyz to an output that is usable for QUAD. |
The standard .cif can be usually exported to a .xyz file by using software tools like " | The standard .cif can be usually exported to a .xyz file by using software tools like " | ||
convertcrystal executes a script file which can contain following commands line by line. | convertcrystal executes a script file which can contain following commands line by line. |