Felix Plasser's repositories
theodore-qc
TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
theodore-test
Test suite for TheoDORE
avogadroapp
Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.
Language:C++BSD-3-Clause000
cclib
Parsers and algorithms for computational chemistry logfiles
Language:PythonBSD-3-Clause000
cclib-data
Computational chemistry logfiles used as regression tests by cclib
000
CMB114_team-project
Template for a simple team project
Language:Python000
ctnumbers
CT numbers generated with theodore from q-chem's outputs
Language:Modelica000
gimic
Fork for print-out of cube files from GIMIC.
Language:PythonGPL-2.0000
IQmol
IQmol is an open source molecular editor and visualization package
GPL-3.0000
util
A collection of various utilities, mostly for internal use.
Language:Python000