DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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This is the complete list of members for dftfe::geometryOptimizationClass, including all inherited members.
d_cycle | dftfe::geometryOptimizationClass | private |
d_dftfeWrapper | dftfe::geometryOptimizationClass | private |
d_dftPtr | dftfe::geometryOptimizationClass | private |
d_geoOptCellPtr | dftfe::geometryOptimizationClass | private |
d_geoOptIonPtr | dftfe::geometryOptimizationClass | private |
d_isRestart | dftfe::geometryOptimizationClass | private |
d_mpiCommParent | dftfe::geometryOptimizationClass | private |
d_optMode | dftfe::geometryOptimizationClass | private |
d_restartFilesPath | dftfe::geometryOptimizationClass | private |
d_status | dftfe::geometryOptimizationClass | private |
d_verbosity | dftfe::geometryOptimizationClass | private |
geometryOptimizationClass(const std::string parameter_file, const std::string restartFilesPath, const MPI_Comm &mpi_comm_parent, const bool restart, const int verbosity, const bool useDevice) | dftfe::geometryOptimizationClass | |
init(const std::string parameter_file, const bool useDevice) | dftfe::geometryOptimizationClass | |
pcout | dftfe::geometryOptimizationClass | private |
runOpt() | dftfe::geometryOptimizationClass |