Specify OMP_NUM_THREADS for Pyhon CI scripts.
[gromacs.git] / src / gromacs / mdtypes / forcebuffers.cpp
blobe76c02ad436e6c36a8b1bbbaaa222d07288bcf49
1 /*
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35 /*! \internal \file
36 * \brief
37 * Implements the ForceBuffers class
39 * \author Berk Hess <hess@kth.se>
40 * \ingroup module_mdtypes
43 #include "gmxpre.h"
45 #include "forcebuffers.h"
47 #include "gromacs/gpu_utils/hostallocator.h"
49 namespace gmx
52 ForceBuffers::ForceBuffers(PinningPolicy pinningPolicy) : force_({}, { pinningPolicy }), view_({})
56 ForceBuffers::~ForceBuffers() = default;
58 ForceBuffers& ForceBuffers::operator=(ForceBuffers const& o)
60 auto oForce = o.view().force();
61 resize(oForce.size());
62 std::copy(oForce.begin(), oForce.end(), view().force().begin());
64 return *this;
67 PinningPolicy ForceBuffers::pinningPolicy() const
69 return force_.get_allocator().pinningPolicy();
72 void ForceBuffers::resize(int numAtoms)
74 force_.resizeWithPadding(numAtoms);
75 view_ = ForceBuffersView(force_.arrayRefWithPadding());
78 } // namespace gmx