ReleaseNotes092

Oliver Beckstein edited this page Jul 9, 2015 · 2 revisions

This is a patch release of MDAnalysis, which contains a couple of small enhancements.

CHANGELOG

  • 0.9.2
  • released 04/20/15

Enhancements

  • Can now set velocity from Atom object. (Issue #221)
  • Atom object now has force attribute for getting/setting forces (requires a trajectory with forces) (Issue #221)
  • Added wrap method. Wrap allows the centers of groups of atoms to be moved within the primary unit cell without breaking up the group. (Issue #190)

Changes

Fixes

  • trajectory objects are now properly closed in unit tests (Issue #256)

Authors

tyler.je.reddy, richardjgowers, orbeckst

Project Information

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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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