Project Filelist for Molecular Modelling Toolkit
File Release Notes and Changelog
Release Name: 2.7.3
New features: - Trajectory actions in Cython - Trajectory generators (MD, minimization) run as a background task provide access to their current state in a thread-safe way. - New method atomIterator() complements atomList() and may become more efficient in future versions. New examples: - MDintegrator (a simple Velocity Verlet written in Cython) - Visualization/additional_objects.py Improvements: - Documentation updated, completed, and built with Sphinx. - Universe description string in trajectories made unambiguous. - Cython replaces Pyrex everywhere in MMTK. - Name conflicts in the database cause a warning to be printed. Bug fixes: - Memory leak in trajectory output removed. - The force contribution from bond terms was NaN at zero bond length. - Elastic Network Model force fields now work correctly with subsets. - A universe is marked as updated when the mass of one of its atoms changes. - Subspace.RigidMotionSubspace was wrong for linked rigid bodies. - Internal coordinate objects detected cyclic bond structures in cases where there are none. - Opening a trajectory whose universe contains named objects could fail.
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