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Public Member Functions | Public Attributes | List of all members
occ::io::FchkReader::FchkBasis Struct Reference

#include <fchkreader.h>

Collaboration diagram for occ::io::FchkReader::FchkBasis:
[legend]

Public Member Functions

void print () const
 

Public Attributes

size_t num_shells
 
size_t num_primitives
 
std::vector< int > shell_types
 
std::vector< int > primitives_per_shell
 
std::vector< int > shell2atom
 
std::vector< double > primitive_exponents
 
std::vector< double > contraction_coefficients
 
std::vector< double > sp_contraction_coefficients
 
std::vector< double > shell_coordinates
 

Member Function Documentation

◆ print()

void occ::io::FchkReader::FchkBasis::print ( ) const

Member Data Documentation

◆ contraction_coefficients

std::vector<double> occ::io::FchkReader::FchkBasis::contraction_coefficients

◆ num_primitives

size_t occ::io::FchkReader::FchkBasis::num_primitives

◆ num_shells

size_t occ::io::FchkReader::FchkBasis::num_shells

◆ primitive_exponents

std::vector<double> occ::io::FchkReader::FchkBasis::primitive_exponents

◆ primitives_per_shell

std::vector<int> occ::io::FchkReader::FchkBasis::primitives_per_shell

◆ shell2atom

std::vector<int> occ::io::FchkReader::FchkBasis::shell2atom

◆ shell_coordinates

std::vector<double> occ::io::FchkReader::FchkBasis::shell_coordinates

◆ shell_types

std::vector<int> occ::io::FchkReader::FchkBasis::shell_types

◆ sp_contraction_coefficients

std::vector<double> occ::io::FchkReader::FchkBasis::sp_contraction_coefficients
The documentation for this struct was generated from the following file: