33 namespace pairPotentials
57 lennardJonesCoeffs_(pairPotentialProperties.
subDict(typeName +
"Coeffs")),
58 sigma_(
readScalar(lennardJonesCoeffs_.lookup(
"sigma"))),
59 epsilon_(
readScalar(lennardJonesCoeffs_.lookup(
"epsilon")))
70 scalar ir2 = (sigma_/r)*(sigma_/r);
73 scalar ir6 = ir2*ir2*ir2;
75 return 4.0 * epsilon_*(ir6*(ir6 - 1.0));
83 lennardJonesCoeffs_ = pairPotentialProperties.
subDict(typeName +
"Coeffs");
85 lennardJonesCoeffs_.
lookup(
"sigma") >> sigma_;
86 lennardJonesCoeffs_.
lookup(
"epsilon") >> epsilon_;