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AtomicCenteredNonLocalOperatorKernelsDevice.h
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AtomicCenteredNonLocalOperatorKernelsDevice.h
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// ---------------------------------------------------------------------
//
// Copyright (c) 2017-2022 The Regents of the University of Michigan and DFT-FE
// authors.
//
// This file is part of the DFT-FE code.
//
// The DFT-FE code is free software; you can use it, redistribute
// it, and/or modify it under the terms of the GNU Lesser General
// Public License as published by the Free Software Foundation; either
// version 2.1 of the License, or (at your option) any later version.
// The full text of the license can be found in the file LICENSE at
// the top level of the DFT-FE distribution.
//
// ---------------------------------------------------------------------
//
// @author Kartick Ramakrishnan
//
#ifndef DFTFE_ATOMICCENTEREDNONLOCALOPERATORDEVICEKERNELS_H
#define DFTFE_ATOMICCENTEREDNONLOCALOPERATORDEVICEKERNELS_H
#include <deviceKernelsGeneric.h>
#include <DeviceAPICalls.h>
#include <DeviceDataTypeOverloads.h>
#include <DeviceTypeConfig.h>
#include <DeviceKernelLauncherConstants.h>
namespace dftfe
{
namespace AtomicCenteredNonLocalOperatorKernelsDevice
{
template <typename ValueType>
void
copyFromParallelNonLocalVecToAllCellsVec(
const unsigned int numWfcs,
const unsigned int numNonLocalCells,
const unsigned int maxSingleAtomPseudoWfc,
const ValueType * sphericalFnTimesWfcParallelVec,
ValueType * sphericalFnTimesWfcAllCellsVec,
const int * indexMapPaddedToParallelVec);
template <typename ValueType>
void
copyToDealiiParallelNonLocalVec(
const unsigned int numWfcs,
const unsigned int totalEntries,
const ValueType * sphericalFnTimesWfcParallelVec,
ValueType * sphericalFnTimesWfcDealiiParallelVec,
const unsigned int *indexMapDealiiParallelNumbering);
template <typename ValueType>
void
addNonLocalContribution(
const unsigned int numberCellsForAtom,
const unsigned int numberNodesPerElement,
const unsigned int numberWfc,
const unsigned int numberCellsTraversed,
const dftfe::utils::MemoryStorage<ValueType,
dftfe::utils::MemorySpace::DEVICE>
& nonLocalContribution,
ValueType *TotalContribution,
const dftfe::utils::MemoryStorage<unsigned int,
dftfe::utils::MemorySpace::DEVICE>
&cellNodeIdMapNonLocalToLocal);
} // namespace AtomicCenteredNonLocalOperatorKernelsDevice
} // namespace dftfe
#endif // DFTFE_ATOMICCENTEREDNONLOCALOPERATORDEVICEKERNELS_H