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Outlined what we need in documentation
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rwest committed Jan 29, 2019
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Heterogeneous Catalysis Systems and Surface Reactions
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Need to describe:
* input file
* surfacereactor
* surface site density
* binding energies
* how to represent adsorbates
* atom types (X, Xv, Xo)
* van der Waals (same chemgraph, no bond)
* reaction family set (how to choose them in input file, with and without gas phase)
* reaction libraries

theory:
* linear scaling relationships


To simulate surfaces in RMG requires a module in your input file for liquid-phase::


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