OneCenterTwoElectronCalculator.h

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#ifndef SPARROW_ONECENTERTWOELECTRONCALCULATOR_H
#define SPARROW_ONECENTERTWOELECTRONCALCULATOR_H

#include "OneCenterTwoElectronIntegralExpression.h"

namespace Scine {
namespace Sparrow {

namespace nddo {
class SlaterCondonParameters;

class OneCenterTwoElectronCalculator {
 public:
  OneCenterTwoElectronCalculator();

  static void setIndexes();
  static int getIndex(int i, int j, int k, int l);
  double getIntegral(int ind, const SlaterCondonParameters* p);

 private:
  static void setUniqueIndexes();
  static void setIndex(int i, int j, int k, int l, int* p);
  // Is the index array already set?
  static bool indexesSet_;
  // The index array containing for each orbital combination an index to the corresponding integral value
  static int index[9][9][9][9];
  // The expression of the integral values, accessed through the indexes in index[9][9][9][9]
  static OneCenterTwoElectronIntegralExpression expr[58];
};

} // namespace nddo

} // namespace Sparrow
} // namespace Scine
#endif // SPARROW_ONECENTERTWOELECTRONCALCULATOR_H