MPQC  2.3.1
sc::PW86XFunctional Member List

This is the complete list of members for sc::PW86XFunctional, including all inherited members.

a0() constsc::DenFunctionalvirtual
a0_ (defined in sc::DenFunctional)sc::DenFunctionalprotected
a_ (defined in sc::PW86XFunctional)sc::PW86XFunctionalprotected
b_ (defined in sc::PW86XFunctional)sc::PW86XFunctionalprotected
c_ (defined in sc::PW86XFunctional)sc::PW86XFunctionalprotected
class_desc() constsc::DescribedClass
class_name() constsc::DescribedClass
class_version() constsc::DescribedClass
compute_potential_ (defined in sc::DenFunctional)sc::DenFunctionalprotected
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::RefCountinline
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::SavableStatestatic
do_fd_point(PointInputData &id, double &in, double &out, double lower_bound, double upper_bound) (defined in sc::DenFunctional)sc::DenFunctionalprotected
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()sc::Identityinline
init_constants() (defined in sc::PW86XFunctional)sc::PW86XFunctionalprotected
key_restore_state(StateIn &si, const char *keyword)sc::SavableStatestatic
lock_ptr() constsc::RefCount
m_ (defined in sc::PW86XFunctional)sc::PW86XFunctionalprotected
managed() const (defined in sc::RefCount)sc::RefCountinline
managed() constsc::RefCountinline
need_density_gradient() (defined in sc::PW86XFunctional)sc::PW86XFunctionalvirtual
need_density_hessian() (defined in sc::DenFunctional)sc::DenFunctionalvirtual
nreference() constsc::RefCountinline
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::RefCountinlineprotected
point(const PointInputData &, PointOutputData &) (defined in sc::PW86XFunctional)sc::PW86XFunctionalvirtual
print(std::ostream &=ExEnv::out0()) constsc::DescribedClassvirtual
PW86XFunctional() (defined in sc::PW86XFunctional)sc::PW86XFunctional
PW86XFunctional(const Ref< KeyVal > &) (defined in sc::PW86XFunctional)sc::PW86XFunctional
PW86XFunctional(StateIn &) (defined in sc::PW86XFunctional)sc::PW86XFunctional
RefCount() (defined in sc::RefCount)sc::RefCountinlineprotected
RefCount(const RefCount &) (defined in sc::RefCount)sc::RefCountinlineprotected
reference()sc::RefCountinline
restore_state(StateIn &si)sc::SavableStatestatic
SavableState() (defined in sc::SavableState)sc::SavableStateprotected
SavableState(const SavableState &) (defined in sc::SavableState)sc::SavableStateprotected
SavableState(StateIn &)sc::SavableStateprotected
save_data_state(StateOut &)sc::PW86XFunctionalvirtual
save_object_state(StateOut &)sc::SavableState
save_state(StateOut &)sc::SavableState
save_state(SavableState *s, StateOut &) (defined in sc::SavableState)sc::SavableStatestatic
save_vbase_state(StateOut &)sc::SavableStatevirtual
set_compute_potential(int i) (defined in sc::DenFunctional)sc::DenFunctionalvirtual
set_spin_polarized(int i) (defined in sc::DenFunctional)sc::DenFunctionalvirtual
spin_polarized_ (defined in sc::DenFunctional)sc::DenFunctionalprotected
test(const PointInputData &) (defined in sc::DenFunctional)sc::DenFunctional
test() (defined in sc::DenFunctional)sc::DenFunctional
unlock_ptr() constsc::RefCount
unmanage()sc::RefCountinline
use_locks(bool inVal)sc::RefCount
~DenFunctional() (defined in sc::DenFunctional)sc::DenFunctional
~DescribedClass() (defined in sc::DescribedClass)sc::DescribedClassvirtual
~Identity() (defined in sc::Identity)sc::Identityvirtual
~PW86XFunctional() (defined in sc::PW86XFunctional)sc::PW86XFunctional
~RefCount() (defined in sc::RefCount)sc::RefCountvirtual
~SavableState() (defined in sc::SavableState)sc::SavableStatevirtual

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