CP2K Open Source Molecular Dynamics

User Tools

Site Tools

Trace:
exercises:2014_ethz_mmm:monte_carlo_ice

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
Last revisionBoth sides next revision
exercise:monte_carlo_ice [2014/05/23 15:50] – [Main Input-File (run this)] oschuettexercise:2014_ethz_mmm:monte_carlo_ice [2014/10/15 13:36] – oschuett
Line 85: Line 85:
  
 ===== Task 2: Gather more samplings ===== ===== Task 2: Gather more samplings =====
-You can gather more samples by launching multiple independent runs in parallel with different random number seeds. The seed is given by the ''RND_DETERMINISTIC'' keyword. The gathered trajectories can then be analyzed collectively by the python-script:+You can gather more samples by launching multiple independent runs in parallel with different random number seeds. The seed is given by the ''RND_DETERMINISTIC'' keyword. The gathered trajectories can then be analyzed collectively with the python-script:
 <code> <code>
 you@brutusX ~$ ./calc_dielectric_constant.py 200 trj_1_T200.00.dip_cl trj_1_T200.00.dip_cl ... you@brutusX ~$ ./calc_dielectric_constant.py 200 trj_1_T200.00.dip_cl trj_1_T200.00.dip_cl ...
Line 97: Line 97:
 ===== Required Files ===== ===== Required Files =====
 ==== Initial Coordinates ==== ==== Initial Coordinates ====
-{{:exercise:ice_ih_96.xyz.gz| Download here}}+{{ice_ih_96.xyz.gz| Download here}}
  
  
exercises/2014_ethz_mmm/monte_carlo_ice.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1