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MPQC
3.0.0-alpha
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This is the complete list of members for sc::AM05Functional, including all inherited members.
| a0() const | sc::DenFunctional | virtual |
| a0_ (defined in sc::DenFunctional) | sc::DenFunctional | protected |
| am05_lambertw(double z) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| AM05Functional() (defined in sc::AM05Functional) | sc::AM05Functional | |
| AM05Functional(const Ref< KeyVal > &) (defined in sc::AM05Functional) | sc::AM05Functional | |
| AM05Functional(StateIn &) (defined in sc::AM05Functional) | sc::AM05Functional | |
| am05xc(double rho, double gam, double &fxc, double &dfxcdrho, double &dfxcdgamma) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| class_desc() const MPQC__NOEXCEPT | sc::DescribedClass | |
| class_name() const | sc::DescribedClass | |
| class_version() const | sc::DescribedClass | |
| compute_potential_ (defined in sc::DenFunctional) | sc::DenFunctional | protected |
| cpbe_lsd(double rhoa, double rhob, double &eps, double &vca, double &vcb) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| DenFunctional() (defined in sc::DenFunctional) | sc::DenFunctional | |
| DenFunctional(const Ref< KeyVal > &) (defined in sc::DenFunctional) | sc::DenFunctional | |
| DenFunctional(StateIn &) (defined in sc::DenFunctional) | sc::DenFunctional | |
| dereference() | sc::RefCount | inline |
| DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | |
| DescribedClass(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in sc::SavableState) | sc::SavableState | static |
| do_fd_point(PointInputData &id, double &in, double &out, double lower_bound, double upper_bound) (defined in sc::DenFunctional) | sc::DenFunctional | protected |
| fd_point(const PointInputData &, PointOutputData &) (defined in sc::DenFunctional) | sc::DenFunctional | |
| gradient(const PointInputData &, PointOutputData &, double *gradient, int acenter, GaussianBasisSet *basis, const double *dmat_a, const double *dmat_b, int ncontrib, const int *contrib, int ncontrib_bf, const int *contrib_bf, const double *bs_values, const double *bsg_values, const double *bsh_values) (defined in sc::DenFunctional) | sc::DenFunctional | |
| identifier() const | sc::RefCount | inline |
| key_restore_state(StateIn &si, const char *keyword) | sc::SavableState | static |
| lock_ptr() const | sc::RefCount | |
| managed() const (defined in sc::RefCount) | sc::RefCount | inline |
| need_density_gradient() (defined in sc::AM05Functional) | sc::AM05Functional | virtual |
| need_density_hessian() (defined in sc::AM05Functional) | sc::AM05Functional | virtual |
| nreference() const | sc::RefCount | inline |
| operator=(const SavableState &) (defined in sc::SavableState) | sc::SavableState | |
| operator=(const DescribedClass &) (defined in sc::DescribedClass) | sc::DescribedClass | |
| operator=(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| pbe_gcor(double a, double a1, double b1, double b2, double b3, double b4, double rtrs, double &gg, double &ggrs) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| point(const PointInputData &, PointOutputData &) (defined in sc::AM05Functional) | sc::AM05Functional | virtual |
| print(std::ostream &=ExEnv::out0()) const | sc::DescribedClass | virtual |
| pw(double rhoa, double rhob, double &ec, double &vca, double &vcb) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| ref() | sc::DescribedClass | inline |
| RefCount() (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inlineprotected |
| reference() | sc::RefCount | inline |
| restore_state(StateIn &si) | sc::SavableState | static |
| SavableState() (defined in sc::SavableState) | sc::SavableState | protected |
| SavableState(const SavableState &) (defined in sc::SavableState) | sc::SavableState | protected |
| SavableState(StateIn &) | sc::SavableState | protected |
| save_data_state(StateOut &) | sc::AM05Functional | virtual |
| save_object_state(StateOut &) | sc::SavableState | |
| save_state(StateOut &) | sc::SavableState | |
| save_state(SavableState *s, StateOut &) (defined in sc::SavableState) | sc::SavableState | static |
| save_vbase_state(StateOut &) | sc::SavableState | virtual |
| set_compute_potential(int i) (defined in sc::DenFunctional) | sc::DenFunctional | virtual |
| set_spin_polarized(int) (defined in sc::AM05Functional) | sc::AM05Functional | virtual |
| spin_polarized_ (defined in sc::DenFunctional) | sc::DenFunctional | protected |
| test(const PointInputData &) (defined in sc::DenFunctional) | sc::DenFunctional | |
| test() (defined in sc::DenFunctional) | sc::DenFunctional | |
| unlock_ptr() const | sc::RefCount | |
| unmanage() | sc::RefCount | inline |
| use_locks(bool inVal) | sc::RefCount | |
| xs(double rho, double &ex, double &vx) (defined in sc::AM05Functional) | sc::AM05Functional | protected |
| ~AM05Functional() (defined in sc::AM05Functional) | sc::AM05Functional | |
| ~DenFunctional() (defined in sc::DenFunctional) | sc::DenFunctional | virtual |
| ~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual |
| ~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual |
| ~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual |