MADNESS
0.10.1
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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>
Namespaces | |
madness | |
File holds all helper structures necessary for the CC_Operator and CC2 class. | |
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/" |
Simple management of core potential and orbital information.