CP2K Open Source Molecular Dynamics

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exercises:2021_uzh_acpc2:ex01

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exercises:2021_uzh_acpc2:ex01 [2021/05/04 15:51] – [Part IV: Other Ensembles] jglanexercises:2021_uzh_acpc2:ex01 [2021/05/04 15:52] – [Part IV: Other Ensembles] jglan
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    - Add an [[https://manual.cp2k.org/trunk/CP2K_INPUT/EXT_RESTART.html|EXT_RESTART]] section:    - Add an [[https://manual.cp2k.org/trunk/CP2K_INPUT/EXT_RESTART.html|EXT_RESTART]] section:
       <code>       <code>
-   &EXT_RESTART +&EXT_RESTART 
-     RESTART_FILE_NAME ar108-1.restart +  RESTART_FILE_NAME ar108-1.restart 
-   &END EXT_RESTART</code>+&END EXT_RESTART</code>
    - And now, again, simply run CP2K:  <code>cp2k -i argon_followup.inp -o argon_followup.out</code>    - And now, again, simply run CP2K:  <code>cp2k -i argon_followup.inp -o argon_followup.out</code>
 </note> </note>
exercises/2021_uzh_acpc2/ex01.txt · Last modified: 2021/05/17 11:35 by mrossmannek