Skip to content

Releases: ejmeitz/ForceConstants.jl

v0.1.3

07 Oct 16:45
2fff003

Choose a tag to compare

  • Removes FastDifferentiation as a dependency to avoid bugs in their back-end.
  • Adds OhMyThreads to replace Threads.@threads for more seamless parallelization
  • Adds a tests to ensure the IFCs calculated are correct

v0.1.2

13 Sep 17:15
583b2cf

Choose a tag to compare

v0.1.2 Pre-release
Pre-release

Has a bug in the Auto-Diff for Lennard-Jones if using the wrong version of FastDifferentiation. Do not use.

v0.1.1

27 Mar 14:07
bbc0a68

Choose a tag to compare

v0.1.1 Pre-release
Pre-release

Auto-diff works for StillingerWeber now (2nd and 3rd order)

v0.1.0

03 Feb 15:11

Choose a tag to compare

v0.1.0 Pre-release
Pre-release

Tag release that is functional, broken and un-tested things are commented out.