ReleaseNotes0121

Richard Gowers edited this page Oct 10, 2015 · 2 revisions

Release 0.12.1 brings a few minor fixes, including better OpenMP detection on Linux/OSX

CHANGELOG

Fixes

  • Fixed OpenMP detection on Linux/OSX #459
  • Fixed reading of LAMMPS trajectory times: default unit ought to be fs and not ps
  • Fixed setting of dt for DCDReader (and LAMMPS DCDReader) with keyword argument Universe(..., dt=<dt>)
  • Fixed a bug in topology.core.guess_atom_element where a single digit atom name would raise an IndexError (#476)
  • Fixed numpy -> np in LeafletFinder

AUTHORS

kain88-de, orbeckst, richardjgowers

Project Information

About
GNU GPL v2 code license
Labels: python, molecular dynamics, analysis, DCD, CHARMM, LAMMPS, NAMD, Gromacs, computer simulation, atoms, coordinates, trajectory, XTC, Library, object-oriented
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