CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:2016_summer_school:qmmm

Differences

This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revisionPrevious revision
Next revision		Previous revision
Next revisionBoth sides next revision
exercises:2016_summer_school:qmmm [2016/08/25 09:05] – mwatkinsexercises:2016_summer_school:qmmm [2016/08/25 14:14] – mwatkins
Line 2: Line 2:
  
 Here is the example file for KCl from the lecture Here is the example file for KCl from the lecture
 +
 +A full tar ball is here {{exercises:2016_summer_school:qmmm_island.tar.gz | qmmmm_island.tar.gz}}
  
 <code cp2k input.inp> <code cp2k input.inp>
Line 191: Line 193:
 </code> </code>
  
-<file kcl.xyz> +<code xyz kcl.xyz> 
-    3.15000       15.00000        3.15000+48 
 + 
 +Cl         0.00000       15.00000        0.00000 
 +Cl         3.15000       15.00000        3.15000
 Cl         0.00000       15.00000        6.30000 Cl         0.00000       15.00000        6.30000
 Cl         3.15000       15.00000        9.45000 Cl         3.15000       15.00000        9.45000
Line 239: Line 244:
 K          9.45000       21.30000        6.30000 K          9.45000       21.30000        6.30000
 K          6.30000       21.30000        9.45000 K          6.30000       21.30000        9.45000
-</file>+</code>
exercises/2016_summer_school/qmmm.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1