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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 [2021/05/17 11:35] (current) – [Part III: Radial distribution function] Fix type mrossmannek
Line 442: Line 442:
 10.2150    1.1041                                               10.2150    1.1041                                              
 10.2831    1.0977                                               10.2831    1.0977                                              
-10.3512    1~0904                                              +10.3512    1.0904                                              
 10.4193    1.0835                                               10.4193    1.0835                                              
 10.4874    1.0774                                               10.4874    1.0774                                              
Line 525: Line 525:
    - 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/ex01.1620143499.txt.gz · Last modified: by jglan