Skip to content

PELE Platform 1.6.3
Compare
Choose a tag to compare
@martimunicoy martimunicoy released this 14 Feb 12:33
· 21 commits to master since this release
1.6.3
82339d8
This commit was created on GitHub.com and signed with GitHub’s verified signature. The key has expired.
GPG key ID: 4AEE18F83AFDEB23
Expired
Verified
Learn about vigilant mode.

A minor stability release of the PELE Platform that contains several bug fixes for frag PELE and other packages.
It also introduces compatibility changes to support future PELE versions. Find below the full list of modifications:

  • Minor changes to support new beta version of PELE (1.7.2).
  • Fixed bug in equilibration_steps parameter.
  • Considering core stereochemistry in frag PELE.
  • PELE MPI parameters are now correctly passed to frag PELE too.
  • Fixed bug in frag PELE.
  • Minor documentation modifications.
Assets 2
Loading