occ::main::DimerGenerationSettings Struct Reference

#include <occ_dimers.h>

Public Attributes
std::string	crystal_filename
double	max_radius {3.8}
std::string	output_json_filename {"dimers.json"}
bool	generate_xyz_files {false}

Member Data Documentation

crystal_filename

std::string occ::main::DimerGenerationSettings::crystal_filename

generate_xyz_files

bool occ::main::DimerGenerationSettings::generate_xyz_files {false}

max_radius

double occ::main::DimerGenerationSettings::max_radius {3.8}

output_json_filename

std::string occ::main::DimerGenerationSettings::output_json_filename {"dimers.json"}

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

• /home/runner/work/occ/occ/include/occ/main/occ_dimers.h