Example for hoomd.md.pair.Table with hoomd version 4.5.0 #1733
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I have found an example for the class hoomd.md.pair.table with the hoomd version 2.9.7. However, can you please provide an example for the same class hoomd.md.pair.table with the latest hoomd version 4.5.0. I don't find any example in the documentation for that class. If I define U = 4 * epsilon * ( (sigma / r)**12 - (sigma / r)**6) and F = 4 * epsilon / r * ( 12 * (sigma / r)**12 - 6 * (sigma / r)**6) with rmin=0.8, rmax=3.0, epsilon=1.5 and sigma=1.0. Then how to use the class hoomd.md.pair.table for the function U and F with the latest hoomd version 4.5.0. |
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Replies: 1 comment
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For a U with that functional form, I recommend that you use |
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For a U with that functional form, I recommend that you use
hoomd.md.pair.LJ
.