Review: Extending and Modifying LAMMPS
The full title is quite a mouthfull: "Extending and Modifying LAMMPS — Writing Your Own Source Code — A pragmatic guide to extending LAMMPS as per custom simulation requirements", a book by Dr....
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These posts are about "Chemistry", who knew.
Calculating equilibrium concentrations of a multi-reaction-system
If you have given the energies of the states as well as the transition states, or already the equilibrium constants, you can calculate the equilibrium concentrations. The way to go is to use the...
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