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Atomic-orbital Based Ab-initio Computation at UStc
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ABACUS develop
Atomic-orbital Based Ab-initio Computation at UStc
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This is the complete list of members for ModuleIO::Cal_MLKEDF_Descriptors, including all inherited members.
| chi_p | ModuleIO::Cal_MLKEDF_Descriptors | |
| chi_pnl | ModuleIO::Cal_MLKEDF_Descriptors | |
| chi_q | ModuleIO::Cal_MLKEDF_Descriptors | |
| chi_qnl | ModuleIO::Cal_MLKEDF_Descriptors | |
| chi_xi | ModuleIO::Cal_MLKEDF_Descriptors | |
| cTF | ModuleIO::Cal_MLKEDF_Descriptors | |
| divergence(double **pinput, ModulePW::PW_Basis *pw_rho, double *routput) | ModuleIO::Cal_MLKEDF_Descriptors | |
| dtanh(double tanhx, double chi=1.) | ModuleIO::Cal_MLKEDF_Descriptors | |
| dV | ModuleIO::Cal_MLKEDF_Descriptors | |
| getF_KS(psi::Psi< std::complex< double > > *psi, elecstate::ElecState *pelec, ModulePW::PW_Basis_K *pw_psi, ModulePW::PW_Basis *pw_rho, UnitCell &ucell, const std::vector< std::vector< double > > &nablaRho, std::vector< double > &rF, std::vector< double > &rpauli) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getGamma(const double *const *prho, std::vector< double > &rgamma) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getGammanl(const int ikernel, std::vector< double > &pgamma, ModulePW::PW_Basis *pw_rho, std::vector< double > &rgammanl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getNablaRho(const double *const *prho, ModulePW::PW_Basis *pw_rho, std::vector< std::vector< double > > &rnablaRho) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getP(const double *const *prho, ModulePW::PW_Basis *pw_rho, std::vector< std::vector< double > > &pnablaRho, std::vector< double > &rp) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getPnl(const int ikernel, std::vector< double > &pp, ModulePW::PW_Basis *pw_rho, std::vector< double > &rpnl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getQ(const double *const *prho, ModulePW::PW_Basis *pw_rho, std::vector< double > &rq) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getQnl(const int ikernel, std::vector< double > &pq, ModulePW::PW_Basis *pw_rho, std::vector< double > &rqnl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanh_Pnl(const int ikernel, std::vector< double > &ppnl, std::vector< double > &rtanh_pnl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanh_Qnl(const int ikernel, std::vector< double > &pqnl, std::vector< double > &rtanh_qnl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhP(std::vector< double > &pp, std::vector< double > &rtanhp) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhP_nl(const int ikernel, std::vector< double > &ptanhp, ModulePW::PW_Basis *pw_rho, std::vector< double > &rtanhp_nl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhQ(std::vector< double > &pq, std::vector< double > &rtanhq) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhQ_nl(const int ikernel, std::vector< double > &ptanhq, ModulePW::PW_Basis *pw_rho, std::vector< double > &rtanhq_nl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhXi(const int ikernel, std::vector< double > &pgamma, std::vector< double > &pgammanl, std::vector< double > &rtanhxi) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getTanhXi_nl(const int ikernel, std::vector< double > &ptanhxi, ModulePW::PW_Basis *pw_rho, std::vector< double > &rtanhxi_nl) | ModuleIO::Cal_MLKEDF_Descriptors | |
| getXi(std::vector< double > &pgamma, std::vector< double > &pgammanl, std::vector< double > &rxi) | ModuleIO::Cal_MLKEDF_Descriptors | |
| kernel | ModuleIO::Cal_MLKEDF_Descriptors | |
| kernel_file | ModuleIO::Cal_MLKEDF_Descriptors | |
| kernel_scaling | ModuleIO::Cal_MLKEDF_Descriptors | |
| kernel_type | ModuleIO::Cal_MLKEDF_Descriptors | |
| kF | ModuleIO::Cal_MLKEDF_Descriptors | |
| Laplacian(double *pinput, ModulePW::PW_Basis *pw_rho, double *routput) | ModuleIO::Cal_MLKEDF_Descriptors | |
| MLkernel(double eta, double tf_weight, double vw_weight) | ModuleIO::Cal_MLKEDF_Descriptors | |
| MLkernel_yukawa(double eta, double alpha) | ModuleIO::Cal_MLKEDF_Descriptors | |
| multiKernel(const int ikernel, double *pinput, ModulePW::PW_Basis *pw_rho, double *routput) | ModuleIO::Cal_MLKEDF_Descriptors | |
| nkernel | ModuleIO::Cal_MLKEDF_Descriptors | |
| nx | ModuleIO::Cal_MLKEDF_Descriptors | |
| pqcoef | ModuleIO::Cal_MLKEDF_Descriptors | |
| read_kernel(const std::string &fileName, const double &scaling, ModulePW::PW_Basis *pw_rho, double *kernel_) | ModuleIO::Cal_MLKEDF_Descriptors | |
| rho0 | ModuleIO::Cal_MLKEDF_Descriptors | |
| set_para(const int &nx, const double &nelec, const double &tf_weight, const double &vw_weight, const double &chi_p, const double &chi_q, const std::vector< double > &chi_xi, const std::vector< double > &chi_pnl, const std::vector< double > &chi_qnl, const int &nkernel, const std::vector< int > &kernel_type, const std::vector< double > &kernel_scaling, const std::vector< double > &yukawa_alpha, const std::vector< std::string > &kernel_file, const double &omega, ModulePW::PW_Basis *pw_rho) | ModuleIO::Cal_MLKEDF_Descriptors | |
| tanh(std::vector< double > &pinput, std::vector< double > &routput, double chi=1.) | ModuleIO::Cal_MLKEDF_Descriptors | |
| tkF | ModuleIO::Cal_MLKEDF_Descriptors | |
| yukawa_alpha | ModuleIO::Cal_MLKEDF_Descriptors | |
| ~Cal_MLKEDF_Descriptors() | ModuleIO::Cal_MLKEDF_Descriptors | inline |
1.9.8