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MSD_Caltulator

A tool to calculate MSD (Mean Square Displacement) from LAMMPS dump file
the dump file looks like

ITEM: TIMESTEP
0
ITEM: NUMBER OF ATOMS
10000
ITEM: BOX BOUNDS pp pp pp
-2.4416597351118270e+00 6.5197659735103457e+01
-2.4416597351118270e+00 6.5197659735103457e+01
-2.4416597351118270e+00 6.5197659735103457e+01
ITEM: ATOMS id mol xu yu zu
8643 87 2.20925 1.17234 -0.887105
8644 87 0.847547 0.907925 -1.55797
527 6 66.0157 0.177074 2.03783
526 6 65.7255 1.34381 3.0951
525 6 65.6866 2.84255 2.62275

just follow the instuctions when you run the executable file

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A tool to calculate MSD (Mean Square Displacement) from LAMMPS dump file

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