/*
* This file is part of the GROMACS molecular simulation package.
*
- * Copyright (c) 2013,2014,2015,2016,2017,2018, by the GROMACS development team, led by
+ * Copyright (c) 2013,2014,2015,2016,2017,2018,2019, 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.
#include <string>
#include "gromacs/commandline/pargs.h"
-#include "gromacs/compat/make_unique.h"
#include "gromacs/fileio/enxio.h"
#include "gromacs/fileio/gmxfio.h"
#include "gromacs/fileio/oenv.h"
std::unique_ptr<OutputFile> frictionOutputFile;
if (outputFriction)
{
- frictionOutputFile = gmx::compat::make_unique<OutputFile>(opt2fn("-fric", numFileOptions, filenames), "Friction tensor", awhParams->numBias, k);
+ frictionOutputFile = std::make_unique<OutputFile>(opt2fn("-fric", numFileOptions, filenames), "Friction tensor", awhParams->numBias, k);
frictionOutputFile->initializeFrictionOutputFile(subblockStart, numSubBlocks, awhBiasParams, energyUnit, kT);
}
AwhGraphSelection awhGraphSelection = (moreGraphs ? AwhGraphSelection::All : AwhGraphSelection::Pmf);
EnergyUnit energyUnit = (kTUnit ? EnergyUnit::KT : EnergyUnit::KJPerMol);
awhReader =
- gmx::compat::make_unique<AwhReader>(ir.awhParams,
- nfile, fnm,
- awhGraphSelection,
- energyUnit, BOLTZ*ir.opts.ref_t[0],
- block);
+ std::make_unique<AwhReader>(ir.awhParams,
+ nfile, fnm,
+ awhGraphSelection,
+ energyUnit, BOLTZ*ir.opts.ref_t[0],
+ block);
}
awhReader->processAwhFrame(*block, frame->t, oenv);