/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2015,2016,2017,2019, by the GROMACS development team, led by
* Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
* and including many others, as listed in the AUTHORS file in the
* top-level source directory and at http://www.gromacs.org.
* \param[in] b Second exponent.
* \returns c.
*/
-double expSum(double a,
- double b)
+double expSum(double a, double b)
{
return (a > b ? a : b) + std::log1p(std::exp(-std::fabs(a - b)));
}
-} // namespace
+} // namespace
void PointState::samplePmf(double convolvedBias)
{
if (inTargetRegion())
{
- logPmfSum_ = expSum(logPmfSum_, -convolvedBias);
+ logPmfSum_ = expSum(logPmfSum_, -convolvedBias);
numVisitsIteration_ += 1;
}
}