*
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
* Copyright (c) 2001-2004, The GROMACS development team.
- * 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 <cstdio>
#include <algorithm>
+#include <memory>
#include <vector>
-#include "gromacs/compat/make_unique.h"
#include "gromacs/domdec/domdec.h"
#include "gromacs/domdec/domdec_struct.h"
#include "gromacs/gmxlib/network.h"
return vsite;
}
- vsite = gmx::compat::make_unique<gmx_vsite_t>();
+ vsite = std::make_unique<gmx_vsite_t>();
vsite->n_intercg_vsite = count_intercg_vsites(&mtop);
molt.cgs);
}
- vsite->vsite_pbc_loc = gmx::compat::make_unique<VsitePbc>();
+ vsite->vsite_pbc_loc = std::make_unique<VsitePbc>();
}
vsite->nthreads = gmx_omp_nthreads_get(emntVSITE);
{
try
{
- vsite->tData[thread] = gmx::compat::make_unique<VsiteThread>();
+ vsite->tData[thread] = std::make_unique<VsiteThread>();
InterdependentTask &idTask = vsite->tData[thread]->idTask;
idTask.nuse = 0;
}
if (vsite->nthreads > 1)
{
- vsite->tData[vsite->nthreads] = gmx::compat::make_unique<VsiteThread>();
+ vsite->tData[vsite->nthreads] = std::make_unique<VsiteThread>();
}
}
{
if (vsite->n_intercg_vsite > 0 && vsite->bHaveChargeGroups)
{
- vsite->vsite_pbc_loc = gmx::compat::make_unique<VsitePbc>();
+ vsite->vsite_pbc_loc = std::make_unique<VsitePbc>();
*vsite->vsite_pbc_loc = get_vsite_pbc(top->idef.iparams,
top->idef.il, nullptr, md,
top->cgs);