Simple management of core potential and orbital information. More...
#include <madness/madness_config.h>#include <madness/constants.h>#include <madness/mra/mra.h>#include <madness/external/tinyxml/tinyxml.h>#include <madness/chem/corepotential.h>#include <cstdio>#include <cmath>#include <string>#include <sstream>#include <vector>#include <utility>#include <map>#include <set>
Include dependency graph for corepotential.cc:
Namespaces | |
| namespace | madness |
| Namespace for all elements and tools of MADNESS. | |
Typedefs | |
| typedef Vector< double, 3 > | madness::coordT |
| typedef FunctionFactory< double, 3 > | madness::factoryT |
| typedef Function< double, 3 > | madness::functionT |
| typedef std::shared_ptr< FunctionFunctorInterface< double, 3 > > | madness::functorT |
| typedef vector< functionT > | madness::vecfuncT |
Functions | |
| static AtomCore | madness::read_atom (TiXmlElement *e, unsigned int atn, double eprec) |
| static bool | madness::read_orbital (TiXmlElement *e, AtomCore &ac) |
| static bool | madness::read_potential (TiXmlElement *elem, AtomCore &ac, double eprec) |
Variables | |
| static const string | madness::dir = "coredata/" |
Detailed Description
Simple management of core potential and orbital information.
