a0() const (defined in sc::DenFunctional) | sc::DenFunctional | [inline] |
a0_ (defined in sc::DenFunctional) | sc::DenFunctional | [protected] |
class_desc() const | sc::DescribedClass | |
class_name() const | sc::DescribedClass | |
class_version() const | sc::DescribedClass | |
coefs_ (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [protected] |
compute_potential_ (defined in sc::DenFunctional) | sc::DenFunctional | [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 | |
funcs_ (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [protected] |
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_arrays(int n) (defined in sc::StdDenFunctional) | sc::StdDenFunctional | [protected] |
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] |
n_ (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [protected] |
name_ (defined in sc::StdDenFunctional) | sc::StdDenFunctional | [protected] |
need_density_gradient() (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [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::SumDenFunctional) | sc::SumDenFunctional | [virtual] |
print(std::ostream &=ExEnv::out0()) const | sc::StdDenFunctional | [virtual] |
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::StdDenFunctional | [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) (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [virtual] |
set_spin_polarized(int) (defined in sc::SumDenFunctional) | sc::SumDenFunctional | [virtual] |
spin_polarized_ (defined in sc::DenFunctional) | sc::DenFunctional | [protected] |
StdDenFunctional() (defined in sc::StdDenFunctional) | sc::StdDenFunctional | |
StdDenFunctional(const Ref< KeyVal > &) | sc::StdDenFunctional | |
StdDenFunctional(StateIn &) (defined in sc::StdDenFunctional) | sc::StdDenFunctional | |
SumDenFunctional() (defined in sc::SumDenFunctional) | sc::SumDenFunctional | |
SumDenFunctional(const Ref< KeyVal > &) (defined in sc::SumDenFunctional) | sc::SumDenFunctional | |
SumDenFunctional(StateIn &) (defined in sc::SumDenFunctional) | sc::SumDenFunctional | |
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 | |
~DenFunctional() (defined in sc::DenFunctional) | sc::DenFunctional | |
~DescribedClass() (defined in sc::DescribedClass) | sc::DescribedClass | [virtual] |
~Identity() (defined in sc::Identity) | sc::Identity | [virtual] |
~RefCount() (defined in sc::RefCount) | sc::RefCount | [virtual] |
~SavableState() (defined in sc::SavableState) | sc::SavableState | [virtual] |
~StdDenFunctional() (defined in sc::StdDenFunctional) | sc::StdDenFunctional | |
~SumDenFunctional() (defined in sc::SumDenFunctional) | sc::SumDenFunctional | |