c = std::sqrt(ci * cj);
forceParam[nf] = c;
}
- interactions->interactionTypes.emplace_back(InteractionOfType({}, forceParam));
+ interactions->interactionTypes.emplace_back(gmx::ArrayRef<const int>{},
+ forceParam);
}
}
break;
forceParam[0] *= -1;
}
forceParam[1] = std::sqrt(ci1 * cj1);
- interactions->interactionTypes.emplace_back(InteractionOfType({}, forceParam));
+ interactions->interactionTypes.emplace_back(gmx::ArrayRef<const int>{},
+ forceParam);
}
}
forceParam[0] *= -1;
}
forceParam[1] = std::sqrt(ci1 * cj1);
- interactions->interactionTypes.emplace_back(InteractionOfType({}, forceParam));
+ interactions->interactionTypes.emplace_back(gmx::ArrayRef<const int>{},
+ forceParam);
}
}
forceParam[1] = 2.0 / (1 / bi + 1 / bj);
}
forceParam[2] = std::sqrt(ci2 * cj2);
- interactions->interactionTypes.emplace_back(InteractionOfType({}, forceParam));
+ interactions->interactionTypes.emplace_back(gmx::ArrayRef<const int>{}, forceParam);
}
}
if (addBondType)
{
/* fill the arrays up and down */
- bt->interactionTypes.emplace_back(
- InteractionOfType(b.atoms(), b.forceParam(), b.interactionTypeName()));
+ bt->interactionTypes.emplace_back(b.atoms(), b.forceParam(), b.interactionTypeName());
/* need to store force values because they might change below */
std::vector<real> forceParam(b.forceParam().begin(), b.forceParam().end());
{
atoms.emplace_back(*oldAtom);
}
- bt->interactionTypes.emplace_back(InteractionOfType(atoms, forceParam, b.interactionTypeName()));
+ bt->interactionTypes.emplace_back(atoms, forceParam, b.interactionTypeName());
}
}
std::vector<real> forceParam = {
fudgeQQ, atoms->atom[param.ai()].q, atoms->atom[param.aj()].q, param.c0(), param.c1()
};
- paramnew.emplace_back(InteractionOfType(param.atoms(), forceParam, ""));
+ paramnew.emplace_back(param.atoms(), forceParam, "");
}
/* now assign the new data to the F_LJC14_Q structure */