#file-format #chemistry #quantum #xyz #parsed #computation

qc_file_parsers

A crate providing libraries for parsing file formats used in computation chemistry

7 releases (3 major breaking)

3.3.2 Nov 27, 2023
3.3.0 Oct 14, 2023
2.0.1 Oct 1, 2023
1.0.0 Sep 28, 2023
0.2.3 Sep 3, 2023

#1001 in Parser implementations


Used in rotate

MIT license

25KB
572 lines

Crate to parse various file formats used in quantum chemistry. Until now only xyz files are parsed.

Dependencies

~3MB
~57K SLoC