grimme-lab/mctc-lib v0.2.4

MCTC library version 0.2.4

on GitHub

Changes in the library

• Update Turbomole reader (#18)
• Don't require element symbols to match symbol_length (#22)
• Add support for writing QCSchema JSON (#23)
• Add support for reading QCSchema JSON (#24)

Changes in the repository

• Ensure module output directory is generated in configure stage (#19)
• Update testing workflow (#21)

SHA256

19149f22843327e853e41e1409869a2fc74986ba40f22406e47041ca56a28898  mctc-convert-0.2.4.tar.xz