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Changes made since 0.7.0 (to be released in 0.7.1)

This is a work in progress

Note: only major changes are listed here. See milestone:0.7.1 or the Timeline for a more exhaustive list.

User visible changes

New features

  1. Addition of FENE bond potential

Bug/fixes small enhancements

  1. Performance of the neighbor list has been increased significantly on the GPU
  2. Profile option added to the run() command
  3. Warnings are now correctly printed when negative coefficients are given to bond forces
  4. Simulations no longer fail on G200 cards

Developer visible changes

  1. Machine arch now added to package name correctly (r1166)
  2. Fixes for building documentation (#114)
  3. Numerous changes to the way BinnedNeighborListGPU works to boost performance (#117)
  4. Code changes to all GPU computations to implement an initial version of a multi-GPU capable HOOMD (#125)
  5. Added data structures for virial calculations to force computes. (#113)

Changes made since 0.6.0

Note: only major changes are listed here. See milestone:0.7 or the Timeline for a more exhaustive list.

  1. Stability and performance improvements.
  2. Cleaned up the hoomd_xml file format.
  3. Improved detection of errors in hoomd_xml files significantly.
  4. Users no longer need to manually specify HOOMD_ROOT, unless their installation is non-standard
  5. Particle charge can now be read in from a hoomd_xml file
  6. Consistency changes in the hoomd_xml file format: HOOMD 0.6.0 XML files are not compatible. No more compatibility breaking changes are planned after 0.7.0
  7. Enabled parallel builds in MSVC for faster compilation times on multicore systems
  8. Numerous small bug fixes
  9. New force compute for implementing walls
  10. Documentation updates
  11. Support for CUDA 2.0
  12. Bug fixed allowing simulations with no integrator
  13. Support for boost 1.35.0
  14. Cleaned up GPU code interface
  15. NVT integrator now uses tau (period) instead of Q (the mass of the extra degree of freedom).
  16. Added option to NVE integration to limit the distance a particle moves in a single time step
  17. Added code to dump system snapshots in the DCD file format
  18. Particle types can be named by strings
  19. A snapshot of the initial configuration can now be written in the .mol2 file format
  20. The default build settings now enable most of the optional features
  21. Separated the user and developer documentation
  22. Mixed polymer systems can now be generated inside HOOMD
  23. Support for CMake 2.6.0
  24. Wrote the user documentation
  25. GPU selection from the command line
  26. Implementation of the job scripting system
  27. GPU can now handle neighbor lists that overflow
  28. Energies are now calculated
  29. Added a logger for logging energies during a simulation run
  30. Code now actually compiles on Mac OS X
  31. Benchmark and demo scripts now use the new scripting system
  32. Consistent error message format that is more visible.
  33. Multiple types of bonds each with the own coefficients are now supported
  34. Added python scripts to convert from HOOMD's XML file format to LAMMPS input and dump files
  35. Fixed a bug where empty xml nodes in input files resulted in an error message
  36. Fixed a bug where HOOMD seg faulted when a particle left the simulation box