66 scalar potentialEnergyLimit_;
79 void setSiteIdList(
const dictionary& moleculePropertiesDict);
81 void readPotentialDict();
83 void readMdInitialiseDict
IOdictionary is derived from dictionary and IOobject to give the dictionary automatic IO functionalit...
A list of keyword definitions, which are a keyword followed by any number of values (e....
Mesh consisting of general polyhedral cells.
label nPairPotentials() const
const tetherPotentialList & tetherPotentials() const
const pairPotentialList & pairPotentials() const
potential(const polyMesh &mesh)
Construct from mesh reference.
const List< word > & siteIdList() const
const List< word > & idList() const
void operator=(const potential &)=delete
Disallow default bitwise assignment.
scalar potentialEnergyLimit() const
const labelList & removalOrder() const
const vector & gravity() const
intWM_LABEL_SIZE_t label
A label is an int32_t or int64_t as specified by the pre-processor macro WM_LABEL_SIZE.