krikr808/MD — comment on commit 69c739bbf96b00db31ba572f2ee4422b2808a98c
File:  line 0
By emika143:

The MSD is not working because the sample_unfiltered_properties() runs before the leapfrog() which means that instEp at current_sample_index is equal to zero every time MSD runs, which leads to division with zero when checking if the program has reached equilibrium...