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mPW91XFunctional Member List

This is the complete list of members for mPW91XFunctional, including all inherited members.
a0() const (defined in DenFunctional)DenFunctional [inline]
a0_ (defined in DenFunctional)DenFunctional [protected]
a_x (defined in mPW91XFunctional)mPW91XFunctional [protected]
b (defined in mPW91XFunctional)mPW91XFunctional [protected]
B88 enum value (defined in mPW91XFunctional)mPW91XFunctional
beta (defined in mPW91XFunctional)mPW91XFunctional [protected]
c (defined in mPW91XFunctional)mPW91XFunctional [protected]
class_desc() constDescribedClass
class_name() constDescribedClass
class_version() constDescribedClass
compute_potential_ (defined in DenFunctional)DenFunctional [protected]
d (defined in mPW91XFunctional)mPW91XFunctional [protected]
DenFunctional() (defined in DenFunctional)DenFunctional
DenFunctional(const Ref< KeyVal > &) (defined in DenFunctional)DenFunctional
DenFunctional(StateIn &) (defined in DenFunctional)DenFunctional
dereference()RefCount [inline]
DescribedClass() (defined in DescribedClass)DescribedClass
DescribedClass(const DescribedClass &) (defined in DescribedClass)DescribedClass
dir_restore_state(StateIn &si, const char *objectname, const char *keyword=0) (defined in SavableState)SavableState [static]
do_fd_point(PointInputData &id, double &in, double &out, double lower_bound, double upper_bound) (defined in DenFunctional)DenFunctional [protected]
fd_point(const PointInputData &, PointOutputData &) (defined in DenFunctional)DenFunctional
Func enum name (defined in mPW91XFunctional)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 DenFunctional)DenFunctional
identifier()Identity [inline]
init_constants(Func) (defined in mPW91XFunctional)mPW91XFunctional
key_restore_state(StateIn &si, const char *keyword)SavableState [static]
lock_ptr() constRefCount
managed() const (defined in RefCount)RefCount [inline]
managed() constRefCount [inline]
mPW91 enum value (defined in mPW91XFunctional)mPW91XFunctional
mPW91XFunctional()mPW91XFunctional
mPW91XFunctional(Func variant)mPW91XFunctional
mPW91XFunctional(const Ref< KeyVal > &)mPW91XFunctional
mPW91XFunctional(StateIn &) (defined in mPW91XFunctional)mPW91XFunctional
need_density_gradient() (defined in mPW91XFunctional)mPW91XFunctional [virtual]
need_density_hessian() (defined in DenFunctional)DenFunctional [virtual]
nreference() constRefCount [inline]
operator=(const SavableState &) (defined in SavableState)SavableState
operator=(const DescribedClass &) (defined in DescribedClass)DescribedClass
operator=(const RefCount &) (defined in RefCount)RefCount [inline, protected]
point(const PointInputData &, PointOutputData &) (defined in mPW91XFunctional)mPW91XFunctional [virtual]
print(std::ostream &=ExEnv::out()) constDescribedClass [virtual]
PW91 enum value (defined in mPW91XFunctional)mPW91XFunctional
RefCount() (defined in RefCount)RefCount [inline, protected]
RefCount(const RefCount &) (defined in RefCount)RefCount [inline, protected]
reference()RefCount [inline]
restore_state(StateIn &si)SavableState [static]
SavableState() (defined in SavableState)SavableState [protected]
SavableState(const SavableState &) (defined in SavableState)SavableState [protected]
SavableState(StateIn &)SavableState [protected]
save_data_state(StateOut &)mPW91XFunctional [virtual]
save_object_state(StateOut &)SavableState
save_state(StateOut &)SavableState
save_state(SavableState *s, StateOut &) (defined in SavableState)SavableState [static]
save_vbase_state(StateOut &)SavableState [virtual]
set_compute_potential(int i) (defined in DenFunctional)DenFunctional [virtual]
set_spin_polarized(int i) (defined in DenFunctional)DenFunctional [virtual]
spin_contrib(const PointInputData::SpinData &, double &mpw, double &dmpw_dr, double &dmpw_dg) (defined in mPW91XFunctional)mPW91XFunctional [protected]
spin_polarized_ (defined in DenFunctional)DenFunctional [protected]
test(const PointInputData &) (defined in DenFunctional)DenFunctional
test() (defined in DenFunctional)DenFunctional
unlock_ptr() constRefCount
unmanage()RefCount [inline]
use_locks(bool inVal)RefCount
x_d_coef (defined in mPW91XFunctional)mPW91XFunctional [protected]
~DenFunctional() (defined in DenFunctional)DenFunctional
~DescribedClass() (defined in DescribedClass)DescribedClass [virtual]
~Identity() (defined in Identity)Identity [virtual]
~mPW91XFunctional() (defined in mPW91XFunctional)mPW91XFunctional
~RefCount() (defined in RefCount)RefCount [virtual]
~SavableState() (defined in SavableState)SavableState [virtual]

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