property.h

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#ifndef SRC_APPS_molresponse_PROPERTY_H_
#define SRC_APPS_molresponse_PROPERTY_H_
 
#include <molresponse/response_functions.h>
 
#include <algorithm>
#include <memory>
#include <string>
#include <vector>
 
#include "../../madness/mra/funcplot.h"
#include "../chem/SCFOperators.h"
#include "../chem/molecule.h"
#include <madness/chem/SCF.h>
#include <madness/mra/function_interface.h>
#include <madness/mra/functypedefs.h>
 
// Type definitions
using namespace madness;
 
// A property class...creates a object with operator vector and property name
// Used to compute properties or compute rhs vectors
class PropertyBase {
public:
  size_t num_operators; // number of operators in vectors
  vector_real_function_3d operator_vector;
 
  // default constructor
  PropertyBase();
};
 
class DipoleVector : public PropertyBase {
public:
  DipoleVector(World &world);
};
 
class NuclearVector : public PropertyBase {
public:
  NuclearVector(World &world, Molecule &molecule);
};
 
#endif // SRC_APPS_molresponse_PROPERTY_H_