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Felix Plasser's Projects

avogadroapp icon avogadroapp

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

cclib icon cclib

Parsers and algorithms for computational chemistry logfiles

cclib-data icon cclib-data

Computational chemistry logfiles used as regression tests by cclib

ctnumbers icon ctnumbers

CT numbers generated with theodore from q-chem's outputs

gimic icon gimic

Fork for print-out of cube files from GIMIC.

iqmol icon iqmol

IQmol is an open source molecular editor and visualization package

matilda icon matilda

MATILDA - molecular structure manipulation

molpy icon molpy

Molcas wavefunction assistent

orbkit icon orbkit

A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

qc_pymol icon qc_pymol

Scripts for using pymol together with quantum chemistry programs

theodore-qc icon theodore-qc

TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis

util icon util

A collection of various utilities, mostly for internal use.

wfoverlap icon wfoverlap

The wfoverlap program allows for an efficient and flexible computation of many-electron wave function overlaps

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