occ::main::OccPairInput Struct Reference

#include <occ_pair.h>

Public Attributes
std::string	model_name {"ce-b3lyp"}
std::string	monomer_a
std::string	monomer_b
std::vector< double >	rotation_a {1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0}
std::vector< double >	rotation_b {1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0}
std::vector< double >	translation_a {0.0, 0.0, 0.0}
std::vector< double >	translation_b {0.0, 0.0, 0.0}
std::string	input_json_filename {""}
std::string	output_json_filename {""}
std::string	monomer_directory {"."}

Member Data Documentation

input_json_filename

std::string occ::main::OccPairInput::input_json_filename {""}

model_name

std::string occ::main::OccPairInput::model_name {"ce-b3lyp"}

monomer_a

std::string occ::main::OccPairInput::monomer_a

monomer_b

std::string occ::main::OccPairInput::monomer_b

monomer_directory

std::string occ::main::OccPairInput::monomer_directory {"."}

output_json_filename

std::string occ::main::OccPairInput::output_json_filename {""}

rotation_a

std::vector<double> occ::main::OccPairInput::rotation_a {1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0}

rotation_b

std::vector<double> occ::main::OccPairInput::rotation_b {1.0, 0.0, 0.0, 0.0, 1.0, 0.0, 0.0, 0.0, 1.0}

translation_a

std::vector<double> occ::main::OccPairInput::translation_a {0.0, 0.0, 0.0}

translation_b

std::vector<double> occ::main::OccPairInput::translation_b {0.0, 0.0, 0.0}

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

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