DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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constraintMatrixInfoDeviceKernels.h
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1#ifndef constraintMatrixInfoDeviceKernels_H
2#define constraintMatrixInfoDeviceKernels_H
3#include <DeviceAPICalls.h>
6
7
8namespace dftfe
9{
10 // Declare dftUtils functions
11 namespace dftUtils
12 {
13 template <typename ValueType>
14 void
16 const unsigned int contiguousBlockSize,
17 ValueType * xVec,
18 const unsigned int *constraintLocalRowIdsUnflattened,
19 const unsigned int numConstraints,
20 const unsigned int *constraintRowSizes,
21 const unsigned int *constraintRowSizesAccumulated,
22 const unsigned int *constraintLocalColumnIdsAllRowsUnflattened,
23 const double * constraintColumnValuesAllRowsUnflattened,
24 const double * inhomogenities);
25
26 template <typename ValueType>
27 void
29 const unsigned int contiguousBlockSize,
30 ValueType * xVec,
31 const unsigned int *constraintLocalRowIdsUnflattened,
32 const unsigned int numConstraints,
33 const unsigned int *constraintRowSizes,
34 const unsigned int *constraintRowSizesAccumulated,
35 const unsigned int *constraintLocalColumnIdsAllRowsUnflattened,
36 const double * constraintColumnValuesAllRowsUnflattened);
37
38 template <typename ValueType>
39 void
40 setzeroDevice(const unsigned int contiguousBlockSize,
41 ValueType * xVec,
42 const unsigned int *constraintLocalRowIdsUnflattened,
43 const unsigned int numConstraints);
44 void
46 const double * xVec,
47 const unsigned int *constraintLocalRowIdsUnflattened,
48 const unsigned int numConstraints,
49 const unsigned int *constraintRowSizes,
50 const unsigned int *constraintRowSizesAccumulated,
51 const unsigned int *constraintLocalColumnIdsAllRowsUnflattened,
52 double * constraintColumnValuesAllRowsUnflattened);
53 } // namespace dftUtils
54} // namespace dftfe
55#endif
Contains repeatedly used functions in the KSDFT calculations.
Definition CompositeData.h:29
void distributeDevice(const unsigned int contiguousBlockSize, ValueType *xVec, const unsigned int *constraintLocalRowIdsUnflattened, const unsigned int numConstraints, const unsigned int *constraintRowSizes, const unsigned int *constraintRowSizesAccumulated, const unsigned int *constraintLocalColumnIdsAllRowsUnflattened, const double *constraintColumnValuesAllRowsUnflattened, const double *inhomogenities)
void distributeSlaveToMasterAtomicAddDevice(const unsigned int contiguousBlockSize, ValueType *xVec, const unsigned int *constraintLocalRowIdsUnflattened, const unsigned int numConstraints, const unsigned int *constraintRowSizes, const unsigned int *constraintRowSizesAccumulated, const unsigned int *constraintLocalColumnIdsAllRowsUnflattened, const double *constraintColumnValuesAllRowsUnflattened)
void scaleConstraintsDevice(const double *xVec, const unsigned int *constraintLocalRowIdsUnflattened, const unsigned int numConstraints, const unsigned int *constraintRowSizes, const unsigned int *constraintRowSizesAccumulated, const unsigned int *constraintLocalColumnIdsAllRowsUnflattened, double *constraintColumnValuesAllRowsUnflattened)
void setzeroDevice(const unsigned int contiguousBlockSize, ValueType *xVec, const unsigned int *constraintLocalRowIdsUnflattened, const unsigned int numConstraints)
Definition pseudoPotentialToDftfeConverter.cc:34