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sc::mPW91XFunctional Member List

This is the complete list of members for sc::mPW91XFunctional, including all inherited members.

a0() const | sc::DenFunctional | virtual
a0_ (defined in sc::DenFunctional) | sc::DenFunctional | protected
a_x (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
b (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
B88 enum value (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
beta (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
c (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
class_desc() const | sc::DescribedClass |
class_name() const | sc::DescribedClass |
class_version() const | sc::DescribedClass |
compute_potential_ (defined in sc::DenFunctional) | sc::DenFunctional | protected
d (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | 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 |
Func enum name (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
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() | sc::Identity | inline
init_constants(Func) (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
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
managed() const | sc::RefCount | inline
mPW91 enum value (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
mPW91XFunctional() | sc::mPW91XFunctional |
mPW91XFunctional(Func variant) | sc::mPW91XFunctional |
mPW91XFunctional(const Ref< KeyVal > &) | sc::mPW91XFunctional |
mPW91XFunctional(StateIn &) (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
need_density_gradient() (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | virtual
need_density_hessian() (defined in sc::DenFunctional) | sc::DenFunctional | 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 | inline protected
point(const PointInputData &, PointOutputData &) (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | virtual
print(std::ostream &=ExEnv::out0()) const | sc::DescribedClass | virtual
PW91 enum value (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
RefCount() (defined in sc::RefCount) | sc::RefCount | inline protected
RefCount(const RefCount &) (defined in sc::RefCount) | sc::RefCount | inline protected
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::mPW91XFunctional | 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 i) (defined in sc::DenFunctional) | sc::DenFunctional | virtual
spin_contrib(const PointInputData::SpinData &, double &mpw, double &dmpw_dr, double &dmpw_dg) (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
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 |
x_d_coef (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional | protected
~DenFunctional() (defined in sc::DenFunctional) | sc::DenFunctional |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | virtual
~Identity() (defined in sc::Identity) | sc::Identity | virtual
~mPW91XFunctional() (defined in sc::mPW91XFunctional) | sc::mPW91XFunctional |
~RefCount() (defined in sc::RefCount) | sc::RefCount | virtual
~SavableState() (defined in sc::SavableState) | sc::SavableState | virtual