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Searched refs:Kxc (Results 1 – 25 of 26) sorted by relevance

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/dports/science/erkale/erkale-8297aefe5aac9dbbb291e04c07661f3cff94a99a/src/casida/
H A Dcasida_grid.h51 void Kxc(const std::vector< std::vector<states_pair_t> > & pairs, arma::mat & K) const;
80 …void Kxc(const std::vector<arma::mat> & P, double tol, int x_func, int c_func, const std::vector<a…
H A Dcasida_grid.cpp142 void CasidaShell::Kxc(const std::vector< std::vector<states_pair_t> > & pairs, arma::mat & K) const… in Kxc() function in CasidaShell
311 void CasidaGrid::Kxc(const std::vector<arma::mat> & P, double tol, int x_func, int c_func, const st… in Kxc() function in CasidaGrid
358 wrk[ith].Kxc(pairs, Kx); in Kxc()
H A Dcasida.h127 void Kxc(const BasisSet & bas, double tol, int x_func, int c_func);
H A Dcasida.cpp147 Kxc(basis,tol,x_func,c_func); in calc_K()
766 void Casida::Kxc(const BasisSet & bas, double tol, int x_func, int c_func) { in Kxc() function in Casida
772 grid.Kxc(P,tol,x_func,c_func,C,pairs,K); in Kxc()
/dports/science/erkale-pseudopotentials/erkale-870e772f09631b3dbdd99a18e4f3d4786d684a01/src/casida/
H A Dcasida_grid.h51 void Kxc(const std::vector< std::vector<states_pair_t> > & pairs, arma::mat & K) const;
80 …void Kxc(const std::vector<arma::mat> & P, double tol, int x_func, int c_func, const std::vector<a…
H A Dcasida_grid.cpp142 void CasidaShell::Kxc(const std::vector< std::vector<states_pair_t> > & pairs, arma::mat & K) const… in Kxc() function in CasidaShell
311 void CasidaGrid::Kxc(const std::vector<arma::mat> & P, double tol, int x_func, int c_func, const st… in Kxc() function in CasidaGrid
358 wrk[ith].Kxc(pairs, Kx); in Kxc()
H A Dcasida.h127 void Kxc(const BasisSet & bas, double tol, int x_func, int c_func);
H A Dcasida.cpp147 Kxc(basis,tol,x_func,c_func); in calc_K()
766 void Casida::Kxc(const BasisSet & bas, double tol, int x_func, int c_func) { in Kxc() function in Casida
772 grid.Kxc(P,tol,x_func,c_func,C,pairs,K); in Kxc()
/dports/science/jdftx/jdftx-1.6.0/jdftx/electronic/
H A DElectronScattering.cpp264 matrix Kxc, invKq = inv(coulombMatrix(iq, Kxc)); in dump() local
314 : inv(eye(nbasis) - chiKS[iOmega] * Kxc) * chiKS[iOmega]; in dump()
522 matrix ElectronScattering::coulombMatrix(size_t iq, matrix& Kxc) const in coulombMatrix()
535 if(!RPA) Kxc = exCorrMatrix(V, *e, e->eVars.get_nTot(), qmesh[iq].k); in coulombMatrix()
661 matrix Kxc, invKq = inv(coulombMatrix(0, Kxc)); in dumpSlabResponse() local
709 : inv(eye(basisChi[0].nbasis) - chiKS[iOmega] * Kxc) * chiKS[iOmega]; in dumpSlabResponse()
H A DElectronScattering.h81 …matrix coulombMatrix(size_t iq, matrix& Kxc) const; //retrieve the Coulomb and XC (if not RPA) ope…
/dports/science/libxc/libxc-5.0.0/
H A DChangeLog293 - Kxc for the following functionals GGA functionals: X_B86, X_B88, X_OPTB88_VDW, X_MB88, X_PBE, X_P…
294 - Kxc for HYB_GGA_X_SOGGA11_X.
/dports/science/octopus/octopus-10.5/
H A DChangeLog10394 * [r11318] libxc/src/gga_x_b88.c: Kxc for B88-like functionals
10410 * [r11320] libxc/src/gga_x_pbe.c: Added Kxc to exchange PBE-like
10415 * [r11321] libxc/src/gga_x_wc.c: Added Kxc to X_WC
10593 libxc/src/util.c, libxc/src/util.h: Added Kxc to GGA_X_AIRY
10599 Kxc to AK13
11120 libxc/src/util.c, libxc/src/util.h: Added Kxc to X_AM05
11125 libxc/src/util.h: Kxc for DK87_R1 and DK87_R2
11130 libxc/src/util.c, libxc/src/util.h: Added Kxc for hermand and
11136 libxc/src/util.c, libxc/src/util.h: Added Kxc to lv_rpw86
11143 Kxc for optx, mpbe, sogga11 and variants
[all …]
/dports/www/flexget/Flexget-3.2.18/flexget/tests/cassettes/
H A Dtest_npo_watchlist.TestNpoWatchlistInfo.test_npowatchlist_lookup4761 dbBSJFLOk3vZlGsA+H8AQCzaVqoXCrIDXqKYveLDTsEiDUSeBRiW6PlCIQUYkN89wYHn5vTr+Kxc
/dports/devel/RStudio/rstudio-2021.09.1-372/src/gwt/lib/gwt/2.8.1/samples/Showcase/war/WEB-INF/deploy/showcase/symbolMaps/
H A D6650375722E7390271BA2055EA19C0F2.symbolMap11125 Kxc,java.util.LinkedHashMap::size()I,java.util.LinkedHashMap,size,com/google/gwt/emul/java/util/Lin…
H A DC6827B51475CAA3BD8C8C7A123E6CCCF.symbolMap11137 Kxc,java.util.LinkedHashMap$EntrySet$EntryIterator::$next(Ljava/util/LinkedHashMap$EntrySet$EntryIt…
H A D2DAF8ABB2B5477C3D938B0A23CD69C6C.symbolMap11143 Kxc,java.util.Locale::ROOT,java.util.Locale,ROOT,com/google/gwt/emul/java/util/Locale.java,27,-1
H A D1AE35282B34180D77CACCDA224BC30A9.symbolMap11131 Kxc,java.util.LinkedHashMap::remove(Ljava/lang/Object;)Ljava/lang/Object;,java.util.LinkedHashMap,r…
H A DCCF2AF125518816D833DA191F131DD8F.symbolMap11124 Kxc,java.util.LinkedHashMap$ChainEntry::$remove(Ljava/util/LinkedHashMap$ChainEntry;)V,java.util.Li…
H A D71F54D0190D3480CAF67289AFD860563.symbolMap10758 Kxc,com.google.gwt.user.datepicker.client.DefaultCalendarView::DefaultCalendarView() <init>,com.goo…
H A D5D7E6930A54EB9155B5AE42383D2C96D.symbolMap10766 Kxc,com.google.gwt.user.datepicker.client.DefaultCalendarView$CellGrid$DateCell::$removeStyleName(L…
H A D2F2917AE0EF034B1DDD82FCB3D6D6159.symbolMap10751 Kxc,com.google.gwt.user.datepicker.client.DatePicker$DateStyler::$getStyleName(Lcom/google/gwt/user…
H A D8B44449CF737281BF8A76F4FF3546086.symbolMap10746 Kxc,com.google.gwt.user.datepicker.client.DatePicker$StandardCss::DEFAULT,com.google.gwt.user.datep…
H A D0F28E62F1A9137FF2F5771829E851333.symbolMap10745 Kxc,com.google.gwt.user.datepicker.client.DatePicker$DateStyler::$setStyleName(Lcom/google/gwt/user…
/dports/devel/godot-tools/godot-demo-projects-8d9d58f112d8/3d/material_testers/backgrounds/
H A Dschelde.hdr13036 …���yZ@~��s�[�k�ո��emfsr��yz�k����gj��^U�^����c^hICA=ws���rF]fvQT�~q����C@:8Kxc���Í��V�ec�x����pۅ�…
/dports/security/hashcat-legacy/hashcat-legacy-2.00/salts/
H A Dbrute-vbulletin.salt396503 Kxc

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