Public Member Functions | |
TypeName ("lennardJones") | |
lennardJones (const word &name, const dictionary &pairPotentialProperties) | |
~lennardJones () | |
scalar | unscaledEnergy (const scalar r) const |
bool | read (const dictionary &pairPotentialProperties) |
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TypeName ("pairPotential") | |
declareRunTimeSelectionTable (autoPtr, pairPotential, dictionary,(const word &name, const dictionary &pairPotentialProperties),(name, pairPotentialProperties)) | |
pairPotential (const word &name, const dictionary &pairPotentialProperties) | |
virtual | ~pairPotential ()=default |
void | setLookupTables () |
scalar | rMin () const |
scalar | dr () const |
scalar | rCut () const |
scalar | rCutSqr () const |
scalar | energy (const scalar r) const |
scalar | force (const scalar r) const |
List< Pair< scalar > > | energyTable () const |
List< Pair< scalar > > | forceTable () const |
bool | writeTables () const |
scalar | scaledEnergy (const scalar r) const |
scalar | energyDerivative (const scalar r, const bool scaledEnergyDerivative=true) const |
const dictionary & | pairPotentialProperties () const |
bool | writeEnergyAndForceTables (Ostream &os) const |
Additional Inherited Members | |
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static autoPtr< pairPotential > | New (const word &name, const dictionary &pairPotentialProperties) |
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void | scaleEnergy (scalar &e, const scalar r) const |
pairPotential (const pairPotential &)=delete | |
void | operator= (const pairPotential &)=delete |
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word | name_ |
dictionary | pairPotentialProperties_ |
scalar | rCut_ |
scalar | rCutSqr_ |
scalar | rMin_ |
scalar | dr_ |
List< scalar > | forceLookup_ |
List< scalar > | energyLookup_ |
energyScalingFunction * | esfPtr_ |
bool | writeTables_ |
lennardJones | ( | const word & | name, |
const dictionary & | pairPotentialProperties | ||
) |
Definition at line 46 of file lennardJones.C.
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inline |
Definition at line 77 of file lennardJones.H.
TypeName | ( | "lennardJones" | ) |
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virtual |
Implements pairPotential.
Definition at line 62 of file lennardJones.C.
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virtual |
Implements pairPotential.
Definition at line 74 of file lennardJones.C.
References pairPotential::pairPotentialProperties(), pairPotential::read(), dictionary::readEntry(), and dictionary::subDict().
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