transition-state

There are 0 repository under transition-state topic.

MicroBeaut / Finite-State
Finite-State Machine (FSM) for Arduino
arduino deterministic-finite-automaton deterministic-finite-state-automaton deterministic-finite-state-machine dfa dfsa dfsm finite-automaton finite-state finite-state-automaton finite-state-machine finite-state-machine-for-arduino fsa fsm state-machine state-management state-transition tfsm timed-finite-state-machines transition-state
Language:C++ 10
basf / precomplex_generator
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.
quantum-chemistry reaction-mechanism reaction-network transition-state
Language:Python 7
npe1011 / xtboptts
GUI tool for transition state (saddle point) optimization wiht XTB and geomeTRIC.
chemistry geometric quantum-chemistry transition-state xtb
Language:Python