35 namespace pairPotentials
59 lennardJonesCoeffs_(pairPotentialProperties.subDict(typeName +
"Coeffs")),
60 sigma_(lennardJonesCoeffs_.
get<scalar>(
"sigma")),
61 epsilon_(lennardJonesCoeffs_.
get<scalar>(
"epsilon"))
72 scalar ir2 = (sigma_/r)*(sigma_/r);
75 scalar ir6 = ir2*ir2*ir2;
77 return 4.0 * epsilon_*(ir6*(ir6 - 1.0));
87 lennardJonesCoeffs_.
readEntry(
"sigma", sigma_);
88 lennardJonesCoeffs_.
readEntry(
"epsilon", epsilon_);
List< ReturnType > get(const UPtrList< T > &list, const AccessOp &aop)
List of values generated by applying the access operation to each list item.
A list of keyword definitions, which are a keyword followed by a number of values (eg...
virtual bool read(const dictionary &pairPotentialProperties)=0
Read pairPotential dictionary.
const dictionary & subDict(const word &keyword, enum keyType::option matchOpt=keyType::REGEX) const
Find and return a sub-dictionary.
Macros for easy insertion into run-time selection tables.
bool readEntry(const word &keyword, T &val, enum keyType::option matchOpt=keyType::REGEX, IOobjectOption::readOption readOpt=IOobjectOption::MUST_READ) const
Find entry and assign to T val. FatalIOError if it is found and the number of tokens is incorrect...
word name(const expressions::valueTypeCode typeCode)
A word representation of a valueTypeCode. Empty for expressions::valueTypeCode::INVALID.
A class for handling words, derived from Foam::string.
lennardJones(const word &name, const dictionary &pairPotentialProperties)
Construct from components.
const dictionary & pairPotentialProperties() const
scalar unscaledEnergy(const scalar r) const
defineTypeNameAndDebug(azizChen, 0)
addToRunTimeSelectionTable(pairPotential, azizChen, dictionary)
bool read(const dictionary &pairPotentialProperties)
Read dictionary.