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PW91XFunctional Member List

This is the complete list of members for PW91XFunctional, including all inherited members.

• a (defined in PW91XFunctional) [protected]
• a0() const (defined in DenFunctional) [inline]
• a0_ (defined in DenFunctional) [protected]
• a_x (defined in PW91XFunctional) [protected]
• b (defined in PW91XFunctional) [protected]
• c (defined in PW91XFunctional) [protected]
• class_desc() const
• class_name() const
• class_version() const
• compute_potential_ (defined in DenFunctional) [protected]
• d (defined in PW91XFunctional) [protected]
• DenFunctional() (defined in DenFunctional)
• DenFunctional(const Ref< KeyVal > &) (defined in DenFunctional)
• DenFunctional(StateIn &) (defined in DenFunctional)
• dereference() [inline]
• DescribedClass() (defined in DescribedClass)
• DescribedClass(const DescribedClass &) (defined in DescribedClass)
• dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState) [static]
• do_fd_point(PointInputData &id, double &in, double &out, double lower_bound, double upper_bound) (defined in DenFunctional) [protected]
• fd_point(const PointInputData &, PointOutputData &) (defined in 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 DenFunctional)
• identifier() [inline]
• init_constants() (defined in PW91XFunctional) [protected]
• key_restore_state(StateIn &si, const char *keyword) [static]
• lock_ptr() const
• managed() const [inline]
• managed() const [inline]
• need_density_gradient() (defined in PW91XFunctional) [virtual]
• need_density_hessian() (defined in DenFunctional) [virtual]
• nreference() const [inline]
• operator=(const SavableState &) (defined in SavableState)
• operator=(const DescribedClass &) (defined in DescribedClass)
• operator=(const RefCount &) (defined in RefCount) [inline, protected]
• point(const PointInputData &, PointOutputData &) (defined in PW91XFunctional) [virtual]
• print(std::ostream &=ExEnv::out()) const [virtual]
• PW91XFunctional() (defined in PW91XFunctional)
• PW91XFunctional(const Ref< KeyVal > &) (defined in PW91XFunctional)
• PW91XFunctional(StateIn &) (defined in PW91XFunctional)
• RefCount() (defined in RefCount) [inline, protected]
• RefCount(const RefCount &) (defined in RefCount) [inline, protected]
• reference() [inline]
• restore_state(StateIn &si) [static]
• SavableState() (defined in SavableState) [protected]
• SavableState(const SavableState &) (defined in SavableState) [protected]
• SavableState(StateIn &) [protected]
• save_data_state(StateOut &) [virtual]
• save_object_state(StateOut &)
• save_state(StateOut &)
• save_state(SavableState *s, StateOut &) (defined in SavableState) [static]
• save_vbase_state(StateOut &) [virtual]
• set_compute_potential(int i) (defined in DenFunctional) [virtual]
• set_spin_polarized(int i) (defined in DenFunctional) [virtual]
• spin_contrib(const PointInputData::SpinData &, double &mpw, double &dmpw_dr, double &dmpw_dg) (defined in PW91XFunctional) [protected]
• spin_polarized_ (defined in DenFunctional) [protected]
• test(const PointInputData &) (defined in DenFunctional)
• test() (defined in DenFunctional)
• unlock_ptr() const
• unmanage() [inline]
• use_locks(bool inVal)
• ~DenFunctional() (defined in DenFunctional)
• ~DescribedClass() (defined in DescribedClass) [virtual]
• ~Identity() (defined in Identity) [virtual]
• ~PW91XFunctional() (defined in PW91XFunctional)
• ~RefCount() (defined in RefCount) [virtual]
• ~SavableState() (defined in SavableState) [virtual]

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