grimme-lab/mctc-lib v0.7.0

MCTC library version 0.7.0

on GitHub

Changelog

• Speed up XYZ reader by @marvinfriede in #141
• Add CSR neighbor list, sparse linear algebra, and Wigner-Seitz cell modules by @timchem1508 in #140
• Complete CN Hessian support for smooth capping by @Growl1234 in #144
• CMake: Fix jonquil and toml-f linking by @Growl1234 in #148
• Replace spread with outer product by @marvinfriede in #149
• Fix runtime-dependent real parsing tests by @Growl1234 in #150
• fix timer seconds by @chselz in #153

New Contributors

• @chselz made their first contribution in #153

Full Changelog: v0.6.1...v0.7.0