orbdens (reference) in projects: dports

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Searched refs:orbdens (Results 1 – 2 of 2) sorted by last modified time

/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/
H A D	dftgrid.cpp	1537 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_overlap() local 1543 double rhois(orbdens(io,ip)); in eval_overlap() 1545 double rhotot(arma::sum(orbdens.col(ip))); in eval_overlap() 1565 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_overlap() local 1566 arma::mat orbdenspk(arma::pow(orbdens,k)); in eval_overlap() 1572 double rhotot(arma::sum(orbdens.col(ip))); in eval_overlap() 1650 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_tau_overlap_deriv() local 1668 ww(ip)=-kstd::pow(tw(ip)/t(ip),k)(arma::dot(Esi,orbdens.col(ip))/arma::sum(orbdens.col(ip))); in eval_tau_overlap_deriv() 1683 ww(ip)=-k/2std::pow(tw(ip)/t(ip),k)(arma::dot(Esi,orbdens.col(ip))/t(ip)); in eval_tau_overlap_deriv() 1697 …ip,ic)=w(ip)k/4std::pow(tw(ip)/t(ip),k-1)arma::dot(Esi,orbdens.col(ip))/(arma::sum(orbdens.col… in eval_tau_overlap_deriv()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/
H A D	dftgrid.cpp	1537 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_overlap() local 1543 double rhois(orbdens(io,ip)); in eval_overlap() 1545 double rhotot(arma::sum(orbdens.col(ip))); in eval_overlap() 1565 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_overlap() local 1566 arma::mat orbdenspk(arma::pow(orbdens,k)); in eval_overlap() 1572 double rhotot(arma::sum(orbdens.col(ip))); in eval_overlap() 1650 arma::mat orbdens(calculate_rho(Cocc.rows(bf_ind),bf)); in eval_tau_overlap_deriv() local 1668 ww(ip)=-kstd::pow(tw(ip)/t(ip),k)(arma::dot(Esi,orbdens.col(ip))/arma::sum(orbdens.col(ip))); in eval_tau_overlap_deriv() 1683 ww(ip)=-k/2std::pow(tw(ip)/t(ip),k)(arma::dot(Esi,orbdens.col(ip))/t(ip)); in eval_tau_overlap_deriv() 1697 …ip,ic)=w(ip)k/4std::pow(tw(ip)/t(ip),k-1)arma::dot(Esi,orbdens.col(ip))/(arma::sum(orbdens.col… in eval_tau_overlap_deriv()