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DFT-FE 1.3.0-pre
Density Functional Theory With Finite-Elements
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Functions | |
| template<typename ValueType> | |
| void | reshapeFromNonAffineLayoutDevice (const dftfe::uInt numVecs, const dftfe::uInt numQuads, const dftfe::uInt nDims, const dftfe::uInt numCells, const ValueType *copyFromVec, ValueType *copyToVec) |
| rehsape gradient data from [iCell * 3 * d_nQuadsPerCell * d_nVectors + iQuad * 3 * d_nVectors + iDim * d_nVectors + iVec] to [iCell * 3 * d_nQuadsPerCell * d_nVectors + iDim * d_nQuadsPerCell * d_nVectors + iQuad * d_nVectors + iVec]. | |
| template<typename ValueType> | |
| void | reshapeFromNonAffineLayoutHost (const dftfe::uInt numVecs, const dftfe::uInt numQuads, const dftfe::uInt nDims, const dftfe::uInt numCells, const ValueType *copyFromVec, ValueType *copyToVec) |
| template<typename ValueType> | |
| void | reshapeToNonAffineLayoutDevice (const dftfe::uInt numVecs, const dftfe::uInt numQuads, const dftfe::uInt nDims, const dftfe::uInt numCells, const ValueType *copyFromVec, ValueType *copyToVec) |
| rehsape gradient data to [iCell * 3 * d_nQuadsPerCell * d_nVectors + iQuad * 3 * d_nVectors + iDim * d_nVectors + iVec] from [iCell * 3 * d_nQuadsPerCell * d_nVectors + iDim * d_nQuadsPerCell * d_nVectors + iQuad * d_nVectors + iVec]. | |
| template<typename ValueType> | |
| void | reshapeToNonAffineLayoutHost (const dftfe::uInt numVecs, const dftfe::uInt numQuads, const dftfe::uInt nDims, const dftfe::uInt numCells, const ValueType *copyFromVec, ValueType *copyToVec) |
| template<typename ValueType> | |
| void | scaleQuadratureDataWithDiagonalJacobianDevice (const dftfe::uInt numberOfElements, const dftfe::uInt nDoFsPerCell, const dftfe::uInt nQuadsPerCell, const ValueType *inverseJacobiansEntries, const ValueType *gradientDataBlockCoeff, ValueType *gradientData, const dftfe::uInt *cellIndices) |
| template<typename ValueType> | |
| void | scaleQuadratureDataWithDiagonalJacobianHost (const dftfe::uInt numberOfElements, const dftfe::uInt nDoFsPerCell, const dftfe::uInt nQuadsPerCell, const ValueType *inverseJacobiansEntries, const ValueType *gradientDataBlockCoeff, ValueType *gradientData, const dftfe::uInt *cellIndices) |
| void dftfe::basis::FEBasisOperationsKernelsInternal::reshapeFromNonAffineLayoutDevice | ( | const dftfe::uInt | numVecs, |
| const dftfe::uInt | numQuads, | ||
| const dftfe::uInt | nDims, | ||
| const dftfe::uInt | numCells, | ||
| const ValueType * | copyFromVec, | ||
| ValueType * | copyToVec ) |
rehsape gradient data from [iCell * 3 * d_nQuadsPerCell * d_nVectors + iQuad * 3 * d_nVectors + iDim * d_nVectors + iVec] to [iCell * 3 * d_nQuadsPerCell * d_nVectors + iDim * d_nQuadsPerCell * d_nVectors + iQuad * d_nVectors + iVec].
| [in] | numVecs | number of vectors. |
| [in] | numQuads | number of quadrature points per cell. |
| [in] | nDims | number of dimensions of vector. |
| [in] | numCells | number of locally owned cells. |
| [in] | copyFromVec | source data pointer. |
| [out] | copyToVec | destination data pointer. |
| void dftfe::basis::FEBasisOperationsKernelsInternal::reshapeFromNonAffineLayoutHost | ( | const dftfe::uInt | numVecs, |
| const dftfe::uInt | numQuads, | ||
| const dftfe::uInt | nDims, | ||
| const dftfe::uInt | numCells, | ||
| const ValueType * | copyFromVec, | ||
| ValueType * | copyToVec ) |
| void dftfe::basis::FEBasisOperationsKernelsInternal::reshapeToNonAffineLayoutDevice | ( | const dftfe::uInt | numVecs, |
| const dftfe::uInt | numQuads, | ||
| const dftfe::uInt | nDims, | ||
| const dftfe::uInt | numCells, | ||
| const ValueType * | copyFromVec, | ||
| ValueType * | copyToVec ) |
rehsape gradient data to [iCell * 3 * d_nQuadsPerCell * d_nVectors + iQuad * 3 * d_nVectors + iDim * d_nVectors + iVec] from [iCell * 3 * d_nQuadsPerCell * d_nVectors + iDim * d_nQuadsPerCell * d_nVectors + iQuad * d_nVectors + iVec].
| [in] | numVecs | number of vectors. |
| [in] | numQuads | number of quadrature points per cell. |
| [in] | numCells | number of locally owned cells. |
| [in] | copyFromVec | source data pointer. |
| [out] | copyToVec | destination data pointer. |
| void dftfe::basis::FEBasisOperationsKernelsInternal::reshapeToNonAffineLayoutHost | ( | const dftfe::uInt | numVecs, |
| const dftfe::uInt | numQuads, | ||
| const dftfe::uInt | nDims, | ||
| const dftfe::uInt | numCells, | ||
| const ValueType * | copyFromVec, | ||
| ValueType * | copyToVec ) |
| void dftfe::basis::FEBasisOperationsKernelsInternal::scaleQuadratureDataWithDiagonalJacobianDevice | ( | const dftfe::uInt | numberOfElements, |
| const dftfe::uInt | nDoFsPerCell, | ||
| const dftfe::uInt | nQuadsPerCell, | ||
| const ValueType * | inverseJacobiansEntries, | ||
| const ValueType * | gradientDataBlockCoeff, | ||
| ValueType * | gradientData, | ||
| const dftfe::uInt * | cellIndices ) |
| void dftfe::basis::FEBasisOperationsKernelsInternal::scaleQuadratureDataWithDiagonalJacobianHost | ( | const dftfe::uInt | numberOfElements, |
| const dftfe::uInt | nDoFsPerCell, | ||
| const dftfe::uInt | nQuadsPerCell, | ||
| const ValueType * | inverseJacobiansEntries, | ||
| const ValueType * | gradientDataBlockCoeff, | ||
| ValueType * | gradientData, | ||
| const dftfe::uInt * | cellIndices ) |