chemistry

OpenMolcas is a quantum chemistry software package.

The key feature of OpenMolcas is the multiconfigurational approach to the electronic structure.

NX is a general-purpose program package for simulating the dynamics of electronically excited molecules and molecular assemblies.

Remix of IO-Rodeo's colorimeter, reusing their cuvette holder and led-sensor hardware. This version runs on ESPs, offering basic control through buttons, and advanced control through a web UI, websockets, and serial.

C function to create a chemical element Bitmap, with mass number, atomic number and charge being optional.

GAUssian Fitting of Radial Entities.