DFT-FE 1.3.0-pre
Density Functional Theory With Finite-Elements
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#include <DataTypeOverloads.h>
#include <DeviceAPICalls.h>
#include <DeviceDataTypeOverloads.h>
#include <DeviceTypeConfig.h>
#include <DeviceKernelLauncherHelpers.h>
#include <MemoryStorage.h>
#include <memory>
Go to the source code of this file.
Namespaces | |
namespace | dftfe |
namespace | dftfe::internal |
Functions | |
template<dftfe::utils::MemorySpace memorySpace> | |
void | dftfe::internal::fillRhoVector (const dftfe::uInt numQuadPoints, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, dftfe::utils::MemoryStorage< double, memorySpace > &rhoVector) |
template<dftfe::utils::MemorySpace memorySpace> | |
void | dftfe::internal::fillRhoSigmaVector (const dftfe::uInt numQuadPoints, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, const dftfe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinDown, dftfe::utils::MemoryStorage< double, memorySpace > &rhoVector, dftfe::utils::MemoryStorage< double, memorySpace > &sigmaVector) |
template<dftfe::utils::MemorySpace memorySpace> | |
void | dftfe::internal::fillRhoSigmaTauVector (const dftfe::uInt numQuadPoints, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &densitySpinDown, const dftfe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &gradDensitySpinDown, const dftfe::utils::MemoryStorage< double, memorySpace > &tauSpinUp, const dftfe::utils::MemoryStorage< double, memorySpace > &tauSpinDown, dftfe::utils::MemoryStorage< double, memorySpace > &rhoVector, dftfe::utils::MemoryStorage< double, memorySpace > &sigmaVector, dftfe::utils::MemoryStorage< double, memorySpace > &tauVector, const double tauThreshold=0.0) |