Missing istep in anneal.f

TinkerTools / tinker

Tinker: Software Tools for Molecular Design

https://dasher.wustl.edu/tinker/

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Missing istep in anneal.f #96

Closed NF-AMU closed 2 years ago

NF-AMU commented 2 years ago

Hi, In anneal.f, a couple of "istep" are missing in the arguments of several routines, between lines 288 and 306. Sorry, I can't submit a pull request. For a reason I don't undestand, my tinker clone does not appear in the list. Best regards, Nicolas

jayponder commented 2 years ago

Indeed, that's bad... We just made some simple changes around this, yesterday (!), while working on the interface to Tinker9. And as you note, we missed adding "istep" back in part of "anneal". It's fixed now. Thanks for finding and reporting this so quickly, and we're sorry for the bother.