occ::io::GeometryInput Struct Reference

#include <occ_input.h>

Public Member Functions
occ::core::Molecule	molecule () const
void	set_molecule (const occ::core::Molecule &)

Public Attributes
std::vector< Position >	positions
std::vector< Element >	elements
PointChargeList	point_charges
std::string	point_charge_filename {""}

Member Function Documentation

molecule()

occ::core::Molecule occ::io::GeometryInput::molecule

(

)

const

set_molecule()

void occ::io::GeometryInput::set_molecule

(

const occ::core::Molecule &

)

Member Data Documentation

elements

std::vector<Element> occ::io::GeometryInput::elements

point_charge_filename

std::string occ::io::GeometryInput::point_charge_filename {""}

point_charges

PointChargeList occ::io::GeometryInput::point_charges

positions

std::vector<Position> occ::io::GeometryInput::positions

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/io/occ_input.h