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remove time scaling for msd slope
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test_driver/npt.lammps

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -83,7 +83,7 @@ thermo 1000
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# Perform a short run and decide whether or not to quit
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run 5000
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if "${msd_slope} > $(v_msd_threshold*(v__u_distance^2)/v__u_time)" then "write_dump all atom ${melted_crystal_output}" &
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if "${msd_slope} > $(v_msd_threshold*(v__u_distance^2))" then "write_dump all atom ${melted_crystal_output}" &
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"print 'Crystal melted or vaporized'" &
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"quit"
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unfix msd_vector

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