Finite-State Machine (FSM) for Arduino

The precomplex generator is a tool for obtaining suitable input structures for automated transition-state (TS) searches (precomplexes) based on single-ended reaction path optimization algorithms.

Multifunctional geometry optimization tools for quantum chemical calculations

Optimize transition state structure down imaginary frequency in the style of IRC but without the total reaction coordinate, this will only run opt on the structure moving along the imaginary frequency

GUI tool for transition state (saddle point) optimization wiht XTB and geomeTRIC.