vermouth.processors.merge_all_molecules module
Provides a processor that merges all the molecules from a system.
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class vermouth.processors.merge_all_molecules.MergeAllMolecules[source]
Bases: Processor
Merge all the molecules from a system.
The molecules are merged into the first molecule of the system. Nothing is
done if there are no molecules.
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static run_molecule(molecule)[source]
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run_system(system)[source]