/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018, 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.
public:
//! Constructor.
BiasReader(int subblockStart,
- int numSubBlocks,
std::unique_ptr<OutputFile> awhOutputFile,
std::unique_ptr<OutputFile> frictionOutputFile) :
subblockStart_(subblockStart),
- numSubBlocks_(numSubBlocks),
awhOutputFile_(std::move(awhOutputFile)),
frictionOutputFile_(std::move(frictionOutputFile))
{
private:
const int subblockStart_; /**< The start index of the subblocks to read. */
- const int numSubBlocks_; /**< Number of subblocks to read. */
std::unique_ptr<OutputFile> awhOutputFile_; /**< The standard AWH output file data. */
std::unique_ptr<OutputFile> frictionOutputFile_; /**< The friction/metric tensor output file data */
};
frictionOutputFile->initializeFrictionOutputFile(subblockStart, numSubBlocks, awhBiasParams, energyUnit, kT);
}
- biasReader_.emplace_back(BiasReader(subblockStart, numSubBlocks,
+ biasReader_.emplace_back(BiasReader(subblockStart,
std::move(awhOutputFile),
std::move(frictionOutputFile)));
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2017, by the GROMACS development team, led by
+ * Copyright (c) 2017,2018, 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.
virtual void finishOutput() = 0;
protected:
- ~IMDOutputProvider() {}
+ virtual ~IMDOutputProvider() {}
};
} // namespace gmx
/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2016,2017, by the GROMACS development team, led by
+ * Copyright (c) 2016,2017,2018, 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.
scopedTransform(const KeyValueTreePath &scope) = 0;
protected:
- ~IKeyValueTreeTransformRules();
+ virtual ~IKeyValueTreeTransformRules();
};
/*! \libinternal \brief