chemfiles Files

Modern library for chemistry file reading and writing

Status: Beta

Brought to you by: luthaf

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Name	Modified	Size	InfoDownloads / Week
Parent folder
README.md	2017-12-14	979 Bytes	0
Version 0.8.0.tar.gz	2017-12-14	3.8 MB	0
Version 0.8.0.zip	2017-12-14	4.1 MB	0
Totals: 3 Items		7.9 MB	0

This is a new major iteration of the Chemfiles interface, bringing a lot of interesting changes!

License was changed to BSD for easier integration in external code, both commercial and open source.
Four new formats are supported (LAMMPS Data, Tinker, MOL2, and Molden), and NetCDF format is now always activated.
Chemfiles will now read configuration files in in .chemfilesrc. Atomic types matching given atomic names can be configured.
Frame and Atom can now have arbitrary Property storing additional data.
As well as a ton of smaller bug fixes and improvement. You can learn about all of them in the [CHANGELOG](https://github.com/chemfiles/chemfiles/blob/release-0.8/CHANGELOG.md#08.

Many thanks to @pgbarletta, @lscalfi @frodofine and @g-bauer for their contributions to this release, either in chemfiles or the bindings!

Source: README.md, updated 2017-12-14

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