cda-3

Parsers and algorithms for computational chemistry (Python3 module)

Install

All systems
curl cmd.cat/cda-3.sh
Debian Debian
apt-get install python3-cclib
Ubuntu
apt-get install python3-cclib
image/svg+xml Kali Linux
apt-get install python3-cclib
Fedora
dnf install python3-cclib
Windows (WSL2)
sudo apt-get update sudo apt-get install python3-cclib
Raspbian
apt-get install python3-cclib
Dockerfile
dockerfile.run/cda-3

python3-cclib

Parsers and algorithms for computational chemistry (Python3 module)

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 the Python3 module.