#include <string>
#include <vector>
#include <algorithm>
#include <algorithms/MoReader.hpp>
#include <Sisi4s.hpp>
#include <util/Log.hpp>
#include <fstream>
#include <util/Tensor.hpp>
#include <numeric>
#include <set>
#include <map>
#include <util/Parsing.hpp>
#include <util/AngularMomentum.hpp>
#include <util/BasisSet.hpp>
#include <util/Emitter.hpp>
#include <util/XyzParser.hpp>
#include <nwchem/BasisParser.hpp>
#include <nwchem/MovecsParser.hpp>
#include <turbomole/MosParser.hpp>
#include <regex>
#include <iterator>

Include dependency graph for MoReader.cxx:

Classes
struct	ShellParser

Macros
#define	LOGGER(_l) LOG(_l, "MoReader")

#define	IF_GIVEN(_l, ...) if (isArgumentGiven(_l)) { __VA_ARGS__ }

Functions
int	frozenElement (std::string e)

std::vector< std::vector< size_t > >	findShellIndices (const BasisSet &bs, const std::vector< std::string > &atoms, const am::AngularMomentum &am)

Macro Definition Documentation

◆ IF_GIVEN

#define IF_GIVEN	(	_l,
		...
	)	if (isArgumentGiven(_l)) { __VA_ARGS__ }

◆ LOGGER

#define LOGGER ( _l ) LOG(_l, "MoReader")

Function Documentation

◆ findShellIndices()

std::vector< std::vector< size_t > > findShellIndices	(	const BasisSet &	bs,
		const std::vector< std::string > &	atoms,
		const am::AngularMomentum &	am
	)

Here is the call graph for this function:

Here is the caller graph for this function:

◆ frozenElement()

int frozenElement ( std::string e )