Bugfixes, a small API change

There is a small API change to the recently added BondedPaths function.
Otherwise, it's mostly bug fixes and documentation improvements.

Bugfixes, bond support, and others

This release incorporate a few new features. The main ones relates to connectivity support. Bonds can now be added based on a distance criterion, and the bond-tree can be used, for instance, to detect rings.

Several bugfixes are also incorporated.

There is a minor API break in this release. The xtb handle used to automatically optimize structures before performing an MD simulation.
It does not do so now.

Bugfixes release

- Fixed a bug with a constant that caused int to overflow in Darwin (but not in Linux!)
- The fixing of atoms during geometry optimizations with xtb did not work. It does now.
- Small addition to the chemjson package (a function to produce a JSON-encodable error
  from a regular error.

v0.6.0

This release contains a few bugfixes and several new features.

Solvation analysis and DCD trajectory support (read and write) are among the most important.

Modules supported

This release was created so goChem fully supports go modules.

It's not a particularly stable release, although, goChem is not so young anymore, and there haven't been
new features for a while (other than support for new QM software!). There are still some minor gripes with (small) parts of the API that could be improved, though, so the API is not fully fixed. I'll do my very best to keep a list of any API breaking change starting this release, though.

Hopefully I (or somebody!) will come up with new feature ideas eventually, also.