BasisParser.cxx File Reference

#include <nwchem/BasisParser.hpp>
#include <util/AngularMomentum.hpp>
#include <util/BasisSet.hpp>
#include <numeric>

Include dependency graph for BasisParser.cxx:

Variables
const Regex	spherical = oneOf({"SPHERICAL", "spherical"})
const Regex	no_line = bof + blank + anyOf + eof
const Regex	comment = bof + "#" + print + anyOf
const Regex	atom = upper + lower + optional
const Regex	sep = blank + oneOrMore
const Regex	shell_symbol = oneOf({"S", "P", "D", "F", "G", "H", "I", "K"})
const Regex	shell_header
const Regex	shell_content
const Regex	basis_token = oneOf({"basis", "BASIS"})
const Regex	basis_name = "\"" + capture(print + oneOrMore) + "\""
const Regex	basis_header
const Regex	basis_end = bof + group(oneOf({"end", "END"}))

Variable Documentation

atom

const Regex atom = upper + lower + optional

basis_end

const Regex basis_end = bof + group(oneOf({"end", "END"}))

basis_header

const Regex basis_header

Initial value:

= group(basis_token.s) + sep.s + basis_name.s + sep.s
                         + group(spherical.s) + blank + anyOf

basis_name

const Regex basis_name = "\"" + capture(print + oneOrMore) + "\""

basis_token

const Regex basis_token = oneOf({"basis", "BASIS"})

comment

const Regex comment = bof + "#" + print + anyOf

no_line

const Regex no_line = bof + blank + anyOf + eof

sep

const Regex sep = blank + oneOrMore

shell_content

const Regex shell_content

Initial value:

= bof + blank + anyOf + capture(realNumber) + sep.s
                          + capture(realNumber)

shell_header

const Regex shell_header

Initial value:

= bof + capture(atom.s) + sep.s
                         + capture(shell_symbol.s) + blank + anyOf

shell_symbol

const Regex shell_symbol = oneOf({"S", "P", "D", "F", "G", "H", "I", "K"})

spherical

const Regex spherical = oneOf({"SPHERICAL", "spherical"})