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MSD/diffusion calc

Open khavernathy opened this issue 6 years ago • 2 comments

test case 100 Ar

khavernathy avatar Apr 28 '18 02:04 khavernathy

uVT MD particles should be normalized by lifetime during sim.

khavernathy avatar May 06 '18 01:05 khavernathy

issue resolved by running average of r(0) via standard method.

use velocity autocorr function to compare.

khavernathy avatar May 09 '18 02:05 khavernathy