occ::io::Basis Struct Reference

Everything needed to define the energy model, independent of crystal packing. More...

#include <structure_format.h>

Collaboration diagram for occ::io::Basis:

Public Attributes
std::vector< MoleculeType >	molecule_types
Potentials	potentials
Settings	settings

Detailed Description

Everything needed to define the energy model, independent of crystal packing.

Can be written by occ dma and consumed by CSP programs.

Member Data Documentation

molecule_types

std::vector<MoleculeType> occ::io::Basis::molecule_types

potentials

Potentials occ::io::Basis::potentials

settings

Settings occ::io::Basis::settings

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

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