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Home / 0.4.0
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README.md 2015-10-30 1.0 kB
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Version 0.4.tar.gz 2015-10-30 2.1 MB
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Version 0.4.zip 2015-10-30 2.2 MB
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Totals: 3 Items   4.3 MB 0

Core library

  • Chemharp was renamed to chemfiles, and now have it's own organisation on github.
  • Chemfiles can now be compiled as a static library! This should allow for easier embedding in external code, and easier distribution of binaries.
  • Add a chemfiles::Trajectory::sync method to sync any buffered operation with the disk. The chfl_trajectory_sync function exposes it to the C API.
  • The library is now continuously tested on Visual Studio
  • Various bugfixes and code improvements

Bindings

  • Add a Rust binding
  • Rewrite the Python binding to use ctypes. The same code can be used with Python 2 & 3, and with all numpy versions.
  • Easier Python and Julia binding installation, using conda binary packaging.
  • All the bindings now live on their own repository:
Source: README.md, updated 2015-10-30