Loading...
Searching...
No Matches
EonMtaConfig Struct Reference

Flat config for create (mirrors Parameters::metatomic_options_t). More...

#include <metatomic_c_abi.h>

Public Attributes

const char * model_path
const char * device
const char * length_unit
const char * extensions_directory
int check_consistency
double uncertainty_threshold
const char * energy_output
const char * energy_uncertainty_output
const char * force_output
int non_conservative
int random_rotation
long n_symmetry_rotations
int deterministic
int deterministic_strict
const char * variant_base
const char * variant_energy
const char * variant_energy_uncertainty
const char * variant_force

Detailed Description

Flat config for create (mirrors Parameters::metatomic_options_t).

All string pointers may be NULL (treated as empty / defaults).

Definition at line 37 of file metatomic_c_abi.h.

Member Data Documentation

◆ check_consistency

int EonMtaConfig::check_consistency

Definition at line 42 of file metatomic_c_abi.h.

◆ deterministic

int EonMtaConfig::deterministic

Definition at line 50 of file metatomic_c_abi.h.

◆ deterministic_strict

int EonMtaConfig::deterministic_strict

Definition at line 51 of file metatomic_c_abi.h.

◆ device

const char* EonMtaConfig::device

Definition at line 39 of file metatomic_c_abi.h.

◆ energy_output

const char* EonMtaConfig::energy_output

Definition at line 44 of file metatomic_c_abi.h.

◆ energy_uncertainty_output

const char* EonMtaConfig::energy_uncertainty_output

Definition at line 45 of file metatomic_c_abi.h.

◆ extensions_directory

const char* EonMtaConfig::extensions_directory

Definition at line 41 of file metatomic_c_abi.h.

◆ force_output

const char* EonMtaConfig::force_output

Definition at line 46 of file metatomic_c_abi.h.

◆ length_unit

const char* EonMtaConfig::length_unit

Definition at line 40 of file metatomic_c_abi.h.

◆ model_path

const char* EonMtaConfig::model_path

Definition at line 38 of file metatomic_c_abi.h.

◆ n_symmetry_rotations

long EonMtaConfig::n_symmetry_rotations

Definition at line 49 of file metatomic_c_abi.h.

◆ non_conservative

int EonMtaConfig::non_conservative

Definition at line 47 of file metatomic_c_abi.h.

◆ random_rotation

int EonMtaConfig::random_rotation

Definition at line 48 of file metatomic_c_abi.h.

◆ uncertainty_threshold

double EonMtaConfig::uncertainty_threshold

Definition at line 43 of file metatomic_c_abi.h.

◆ variant_base

const char* EonMtaConfig::variant_base

Definition at line 52 of file metatomic_c_abi.h.

◆ variant_energy

const char* EonMtaConfig::variant_energy

Definition at line 53 of file metatomic_c_abi.h.

◆ variant_energy_uncertainty

const char* EonMtaConfig::variant_energy_uncertainty

Definition at line 54 of file metatomic_c_abi.h.

◆ variant_force

const char* EonMtaConfig::variant_force

Definition at line 55 of file metatomic_c_abi.h.

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