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Published 20 hours ago • verified publisher icon Colvars

Fix restarting mwABF simulations

Open jhenin opened this issue 10 months ago • 0 comments

  • save replica-local ABF data to restart file
  • simplify CZAR data sharing by not taking deltas (useless) and summing complete data from each replica instead

Fixes #685

jhenin avatar Apr 10 '24 12:04 jhenin