std::fill(std::begin(lambdas), std::end(lambdas), fepvals.init_lambda);
return lambdas;
}
- const double globalLambda = currentGlobalLambda(step, fepvals.delta_lambda, fepvals.init_fep_state,
- fepvals.init_lambda, fepvals.n_lambda);
+ const double globalLambda = currentGlobalLambda(
+ step, fepvals.delta_lambda, fepvals.init_fep_state, fepvals.init_lambda, fepvals.n_lambda);
return interpolatedLambdas(globalLambda, fepvals.all_lambda, fepvals.n_lambda);
}