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Merge pull request #483 from akohlmey/airebo-spline-bugfix-refactor

Authored by sjplimp <sjplimp@sandia.gov> on May 18 2017, 17:01.

Description

Merge pull request #483 from akohlmey/airebo-spline-bugfix-refactor

AIREBO spline code out-of-bounds and bondorder derivative bugfix and refactor

Event Timeline

GitHub <noreply@github.com> committed rLAMMPS4b61cf6f52f3: Merge pull request #483 from akohlmey/airebo-spline-bugfix-refactor (authored by sjplimp <sjplimp@sandia.gov>).May 18 2017, 17:01

Merged Changes

CommitAuthorDetailsCommitted
c11e87618bc8Axel Kohlmeyer
implement second bugfix suggestion from @CF17 on issue #59 
May 16 2017
ca87e571294fAxel Kohlmeyer
improved version of AIREBO splines based on a suggestion by markus hoehnerbach 
May 16 2017
0a40a7af7befAxel Kohlmeyer
whitespace cleanup 
May 15 2017
eb6f6a77e5ccAxel Kohlmeyer
dead code removal 
May 15 2017
fb7164a8110bAxel Kohlmeyer
replace pow(x,-0.5) with 1.0/sqrt(x) 
May 15 2017
64cf52d3b557Axel Kohlmeyer
address spline out-of-bounds bug reported in issue #59 and refactor high-level… 
May 15 2017