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Nick's Projects

avogadro icon avogadro

Development of Avogadro 2 is being done at https://github.com/openchemistry/avogadrolibs. Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

avogadrolibs icon avogadrolibs

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

lio icon lio

Linear implementation of DFT calculations (CPU and GPU)

qumvia icon qumvia

A GNU Vibrational self-consistent field (VSCF) and vibrational configuration interaction (VCI) implementation.

scarlett icon scarlett

External program for geometry optimizations

simc icon simc

Simulationcraft engine/GUI

xtb icon xtb

Semiempirical Extended Tight-Binding Program Package

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