MADNESS  0.10.1
Classes | Functions
apps/periodic_old/molecularbasis.h File Reference
#include <madness/madness_config.h>
#include <madness/constants.h>
#include "mentity.h"
#include <madness/external/tinyxml/tinyxml.h>
#include <madness/tensor/tensor.h>
#include <vector>
#include <algorithm>
#include <iostream>
#include <sstream>
#include <iomanip>
#include <cstdio>
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Classes

class  AtomicBasisSet::AnalysisSorter< T >
 
class  AtomicBasis
 Represents multiple shells of contracted gaussians on a single center. More...
 
class  AtomicBasisFunction
 Used to represent one basis function from a shell on a specific center. More...
 
class  AtomicBasisSet
 Contracted Gaussian basis. More...
 
class  ContractedGaussianShell
 Represents a single shell of contracted, Cartesian, Gaussian primitives. More...
 

Functions

std::ostream & operator<< (std::ostream &s, const AtomicBasis &c)
 
std::ostream & operator<< (std::ostream &s, const AtomicBasisFunction &a)
 
std::ostream & operator<< (std::ostream &s, const ContractedGaussianShell &c)
 

Function Documentation

◆ operator<<() [1/3]

std::ostream& operator<< ( std::ostream &  s,
const AtomicBasis c 
)

References c.

◆ operator<<() [2/3]

std::ostream& operator<< ( std::ostream &  s,
const AtomicBasisFunction a 
)

References a.

◆ operator<<() [3/3]

std::ostream& operator<< ( std::ostream &  s,
const ContractedGaussianShell c 
)

References c, and p().