Split mdsteps#371
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suemni wants to merge 16 commits into
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cnegre
approved these changes
May 19, 2026
Ran for t2, t3, t34, t4.
Added new logic to top of mdstep loop.
Added input file for usinf kernel and LangeDynamics.
…r than minimization steps.
mewall
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Jun 1, 2026
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The energy is drifting when I run the Mac1 system on Perlmutter. Needs debugging.
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Mdsteps are split into two half timesteps when criteria is met. Steps that are split are noted with a warning message.