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exercises:2014_ethz_mmm:monte_carlo_ice

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exercise:monte_carlo_ice [2014/05/23 15:50] – [Main Input-File (run this)] oschuettexercises:2014_ethz_mmm:monte_carlo_ice [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 ===== 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 ...
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 ===== 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.1400860237.txt.gz · Last modified: 2020/08/21 10:14 (external edit)