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Parameters::gpr_dimer_options_t::debug_params_t Struct Reference

#include <Parameters.h>

Public Attributes

int report_level {1}
int debug_level {2}
std::string out_dir {"output"}
std::string pos_file {"position"}
std::string energy_file {"energy"}
std::string grad_file {"gradient"}
std::string out_ext {"dat"}
double offset_mid_point {3.0}
double dy {0.1}
double dz {0.1}

Detailed Description

Definition at line 323 of file Parameters.h.

Member Data Documentation

◆ debug_level

int eonc::Parameters::gpr_dimer_options_t::debug_params_t::debug_level {2}

Definition at line 325 of file Parameters.h.

325{2};

◆ dy

double eonc::Parameters::gpr_dimer_options_t::debug_params_t::dy {0.1}

Definition at line 332 of file Parameters.h.

332{0.1};

◆ dz

double eonc::Parameters::gpr_dimer_options_t::debug_params_t::dz {0.1}

Definition at line 333 of file Parameters.h.

333{0.1};

◆ energy_file

std::string eonc::Parameters::gpr_dimer_options_t::debug_params_t::energy_file {"energy"}

Definition at line 328 of file Parameters.h.

328{"energy"};

◆ grad_file

std::string eonc::Parameters::gpr_dimer_options_t::debug_params_t::grad_file {"gradient"}

Definition at line 329 of file Parameters.h.

329{"gradient"};

◆ offset_mid_point

double eonc::Parameters::gpr_dimer_options_t::debug_params_t::offset_mid_point {3.0}

Definition at line 331 of file Parameters.h.

331{3.0};

◆ out_dir

std::string eonc::Parameters::gpr_dimer_options_t::debug_params_t::out_dir {"output"}

Definition at line 326 of file Parameters.h.

326{"output"};

◆ out_ext

std::string eonc::Parameters::gpr_dimer_options_t::debug_params_t::out_ext {"dat"}

Definition at line 330 of file Parameters.h.

330{"dat"};

◆ pos_file

std::string eonc::Parameters::gpr_dimer_options_t::debug_params_t::pos_file {"position"}

Definition at line 327 of file Parameters.h.

327{"position"};

◆ report_level

int eonc::Parameters::gpr_dimer_options_t::debug_params_t::report_level {1}

Definition at line 324 of file Parameters.h.

324{1};
The documentation for this struct was generated from the following file: