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eonc::gpr_dimer_options_t::debug_params_t Struct Reference

#include <ParametersOptions.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 363 of file ParametersOptions.h.

Member Data Documentation

◆ debug_level

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

Definition at line 365 of file ParametersOptions.h.

365{2};

◆ dy

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

Definition at line 372 of file ParametersOptions.h.

372{0.1};

◆ dz

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

Definition at line 373 of file ParametersOptions.h.

373{0.1};

◆ energy_file

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

Definition at line 368 of file ParametersOptions.h.

368{"energy"};

◆ grad_file

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

Definition at line 369 of file ParametersOptions.h.

369{"gradient"};

◆ offset_mid_point

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

Definition at line 371 of file ParametersOptions.h.

371{3.0};

◆ out_dir

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

Definition at line 366 of file ParametersOptions.h.

366{"output"};

◆ out_ext

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

Definition at line 370 of file ParametersOptions.h.

370{"dat"};

◆ pos_file

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

Definition at line 367 of file ParametersOptions.h.

367{"position"};

◆ report_level

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

Definition at line 364 of file ParametersOptions.h.

364{1};
The documentation for this struct was generated from the following file: