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@mmbliss mmbliss commented Oct 1, 2019

Merge the mmakeev version and the tufts-university-rajput-lab versions

mmbliss and others added 7 commits July 8, 2019 19:01
Allows the usage of different filename schemes other than 'Mg_2TFSI_G1.lammpstrj.*'
Added get_msd_from_dump function. Currently only supports msd calculation for entire system (not for individual molecular species). Can calculate msd based on positions for all atoms or CoM positions for all molecules.
@mmbliss mmbliss closed this Oct 1, 2019
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2 participants