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doc/gpumd/input_parameters/move.rst

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@@ -33,14 +33,14 @@ One can first equilibrate the system and then move one group of atoms and at the
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# production stage
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ensemble nvt_ber 300 300 100
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fix 0 # fix atoms in group 0 (default grouping method 0)
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move 1 0.001 0 0 # move atoms in group 1 (default grouping method 0)
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move 1 0.001 0 0 # move atoms in group 1, with a speed of 0.001 Ångstrom/fs in the x direction (default grouping method 0)
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run 1000000
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Using a specific grouping method::
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ensemble nvt_ber 300 300 100
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fix 1 0 # fix group 0 in grouping method 1
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move 1 1 0.001 0 0 # move group 1 in grouping method 1
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move 1 1 0.001 0 0 # move group 1 in grouping method 1, with a speed of 0.001 Ångstrom/fs in the x direction
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run 1000000
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Caveats

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