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exercises:2015_ethz_mmm:single_point_calculation

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exercises:2015_ethz_mmm:single_point_calculation [2015/02/12 13:26] oschuettexercises:2015_ethz_mmm:single_point_calculation [2020/08/21 10:15] (current) – external edit 127.0.0.1
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 === 4. Step === === 4. Step ===
-Here are reported the combiantion rules for pairs unlike pairs, i.e. for pairs of non identical atoms. \\ +Here are reported the combination rules for pairs unlike pairs, i.e. for pairs of non identical atoms. \\ 
 Once generated the ε and σ parameters for the couple Ar/Xe, generate once more the LJ dissociation curve. \\ Once generated the ε and σ parameters for the couple Ar/Xe, generate once more the LJ dissociation curve. \\
 Compare the "mixed" curve to the two "pure" curves and report the position and depth of the minimum. \\ Compare the "mixed" curve to the two "pure" curves and report the position and depth of the minimum. \\
exercises/2015_ethz_mmm/single_point_calculation.1423747572.txt.gz · Last modified: 2020/08/21 10:14 (external edit)