Allen-Tildesley/examples

This release consolidates some minor changes to the Python codes, associated with the introduction of NumPy v2, as well as cosmetic changes to the documentation.

This release consolidates some essentially cosmetic changes to programs and documentation, and also includes the correction discussed in Issue https://github.com/Allen-Tildesley/examples/issues/19.

This release consolidates some minor changes to the documentation and a few program files. The most significant change is the retirement of the `init_random_seed` wrapper, which was only really needed by users of gfortran v6 (and earlier), and should now be redundant.

This release incorporates a bugfix for Issue #16 as well as some minor updates to the documentation.

This release incorporates a small number of minor improvements to *NPT* and *zVT* simulation codes. There are also some accumulated changes in the documentation, including links to cited publications, and corrections to a few typos in the program comments.

This release consolidates the addition of Python versions of several examples, a molecular dynamics code for rigid molecules using quaternions, and a bug fix. In addition, following on from the release of gfortran v7, which included a new built-in random number generator, the GNU-specific `init_random_seed` routine in `maths_module.f90` has been replaced by one which simply calls `random_seed()`. The previous workaround can be found in `gnu_v6_init_random_seed.f90` for information. No further additions to the codes are currently planned, so new releases in the foreseeable future should be confined to bug fixes and, possibly, accumulated cosmetic changes in the documentation and/or program files.

This release incorporates a bug-fix to maths_module.py and some minor edits in the documentation.

This release incorporates additional Python versions, a couple of bugfixes covered in recent commits, and some improvements to the documentation.

This release includes several additional Python versions of codes which were omitted in the original production release.

Initial release, with large data file transferred to data repository, and minor edits to accompanying text files.

No changes to source code. Moved large data file grint_data.zip to separate data repository.

Initial release of examples accompanying publication of the text. Further releases will consist of bug fixes in response to issues raised under the Issues tab.