cclib-cda

Parsers and algorithms for computational chemistry

Install

All systems
curl cmd.cat/cclib-cda.sh
Debian Debian
apt-get install cclib
Ubuntu
apt-get install cclib
image/svg+xml Kali Linux
apt-get install cclib
Windows (WSL2)
sudo apt-get update sudo apt-get install cclib
Raspbian
apt-get install cclib
Dockerfile
dockerfile.run/cclib-cda

cclib

Parsers and algorithms for computational chemistry

A Python library that provides parsers for computational chemistry log files. It also provides a platform to implement algorithms in a package-independent manner. This package contains helper scripts for end users. If you are looking for the unit tests and data files managed by cclib, they are distributed separately as in non-free package cclib-data.