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Contents
Included Potential/RDF
&IncludedPotential
... &EndIncludedPotential
&IncludedRDF
... &EndIncludedRDF
The included record has nearly identical format as the parental RDF/potential section. The record
specification values shall be also in agreement with the corresponding values of the parental section,
to provide consistency of the whole set of RDF/potentials for the studied system.
- Name
-
- Type
-
- Min, Max
-
- NPoints
-
- AtomTypes
- - NB interactions only
- MolType
- - For bonds only
- BondNumber
- - For bonds only
- NPairs or NTriplets
- - For bonds only
- Pairs or Triplets
- - For bonds only
- &Table...&EndTable
-
Note that &Fixed, &InitZero and &InitPMF keywords are not applicable in the included record, but
shall be used in the main potential/RDF file instead.
Alexander Lyubartsev
2016-05-03