DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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dftfe::dispersionCorrection Member List

This is the complete list of members for dftfe::dispersionCorrection, including all inherited members.

computeDFTDCorrection()dftfe::dispersionCorrectionprivate
computeDispresionCorrection(const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &d_domainBoundingVectors)dftfe::dispersionCorrection
d_atomCoordinatesdftfe::dispersionCorrectionprivate
d_atomicNumbersdftfe::dispersionCorrectionprivate
d_dftParamsdftfe::dispersionCorrectionprivate
d_energyDispersiondftfe::dispersionCorrectionprivate
d_forceDispersiondftfe::dispersionCorrectionprivate
d_latticeVectorsdftfe::dispersionCorrectionprivate
d_natomsdftfe::dispersionCorrectionprivate
d_stressDispersiondftfe::dispersionCorrectionprivate
dispersionCorrection(const MPI_Comm &mpi_comm_parent, const MPI_Comm &mpi_comm_domain, const MPI_Comm &interpool_comm, const MPI_Comm &interBandGroupComm, const dftParameters &dftParams)dftfe::dispersionCorrection
getEnergyCorrection() constdftfe::dispersionCorrection
getForceCorrection(int atomNo, int dim) constdftfe::dispersionCorrection
getStressCorrection(int dim1, int dim2) constdftfe::dispersionCorrection
initDispersionCorrection(const std::vector< std::vector< double > > &atomLocations, const std::vector< std::vector< double > > &d_domainBoundingVectors)dftfe::dispersionCorrectionprivate
interBandGroupCommdftfe::dispersionCorrectionprivate
interpoolcommdftfe::dispersionCorrectionprivate
mpi_communicator_domaindftfe::dispersionCorrectionprivate
mpi_communicator_globaldftfe::dispersionCorrectionprivate
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