MADNESS  0.10.1
madness::CorePotentialManager Member List

This is the complete list of members for madness::CorePotentialManager, including all inherited members.

atom_coremadness::CorePotentialManagerprivate
core_derivative(unsigned int atn, unsigned int core, int m, int axis, double xi, double rsq, double x, double y, double z) constmadness::CorePotentialManagerinline
core_eval(unsigned int atn, unsigned int core, int m, double rsq, double x, double y, double z) constmadness::CorePotentialManagerinline
core_typemadness::CorePotentialManagerprivate
CorePotentialManager()madness::CorePotentialManagerinline
CorePotentialManager(std::string filename, double eprec)madness::CorePotentialManagerinline
fcmadness::CorePotentialManagerprivatestatic
get_atom_core(unsigned int atn) constmadness::CorePotentialManagerinline
get_core_bc(unsigned int atn, unsigned int core) constmadness::CorePotentialManagerinline
get_core_l(unsigned int atn, unsigned int core) constmadness::CorePotentialManagerinline
get_potential(unsigned int atn) constmadness::CorePotentialManagerinline
guess_file() constmadness::CorePotentialManagerinline
guess_filenamemadness::CorePotentialManagerprivate
is_defined(const unsigned int atn) constmadness::CorePotentialManagerinline
n_core_orb(const unsigned int atn) constmadness::CorePotentialManagerinline
n_core_orb_base(const unsigned int atn) constmadness::CorePotentialManagerinline
potential(unsigned int atn, double r) constmadness::CorePotentialManagerinline
potential_derivative(unsigned int atn, double xi, double r) constmadness::CorePotentialManagerinline
read_file(std::string filename, std::set< unsigned int > atomset, double eprec)madness::CorePotentialManager
serialize(Archive &ar)madness::CorePotentialManagerinline
set_eprec(double value)madness::CorePotentialManager
set_rcut(double value)madness::CorePotentialManager