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eonc::Parameters::Impl Struct Reference

#include <ParametersImpl.h>

Public Attributes

std::string last_source
int last_error {0}
constants_t constants_ {}
main_options_t main_options_ {}
potential_options_t potential_options_ {}
ams_options_t ams_options_ {}
xtb_options_t xtb_options_ {}
zbl_options_t zbl_options_ {}
dftd_options_t dftd_options_ {}
expr_options_t expr_options_ {}
mopac_options_t mopac_options_ {}
socket_nwchem_options_t socket_nwchem_options_ {}
rgpot_options_t rgpot_options_ {}
structure_comparison_options_t structure_comparison_options_ {}
process_search_options_t process_search_options_ {}
saddle_search_options_t saddle_search_options_ {}
optimizer_options_t optimizer_options_ {}
dimer_options_t dimer_options_ {}
gpr_dimer_options_t gpr_dimer_options_ {}
gp_surrogate_options_t gp_surrogate_options_ {}
catlearn_options_t catlearn_options_ {}
ase_orca_options_t ase_orca_options_ {}
ase_nwchem_options_t ase_nwchem_options_ {}
metatomic_options_t metatomic_options_ {}
lanczos_options_t lanczos_options_ {}
davidson_options_t davidson_options_ {}
prefactor_options_t prefactor_options_ {}
hessian_options_t hessian_options_ {}
neb_options_t neb_options_ {}
dynamics_options_t dynamics_options_ {}
parallel_replica_options_t parallel_replica_options_ {}
tad_options_t tad_options_ {}
thermostat_options_t thermostat_options_ {}
replica_exchange_options_t replica_exchange_options_ {}
hyperdynamics_options_t hyperdynamics_options_ {}
basin_hopping_options_t basin_hopping_options_ {}
global_optimization_options_t global_optimization_options_ {}
monte_carlo_options_t monte_carlo_options_ {}
bgsd_options_t bgsd_options_ {}
serve_options_t serve_options_ {}
artn_options_t artn_options_ {}
ira_options_t ira_options_ {}
debug_options_t debug_options_ {}
oh_tst_options_t oh_tst_options_ {}
instanton_options_t instanton_options_ {}

Detailed Description

Definition at line 22 of file ParametersImpl.h.

Member Data Documentation

◆ ams_options_

ams_options_t eonc::Parameters::Impl::ams_options_ {}

Definition at line 28 of file ParametersImpl.h.

28{};

◆ artn_options_

artn_options_t eonc::Parameters::Impl::artn_options_ {}

Definition at line 63 of file ParametersImpl.h.

63{};

◆ ase_nwchem_options_

ase_nwchem_options_t eonc::Parameters::Impl::ase_nwchem_options_ {}

Definition at line 45 of file ParametersImpl.h.

45{};

◆ ase_orca_options_

ase_orca_options_t eonc::Parameters::Impl::ase_orca_options_ {}

Definition at line 44 of file ParametersImpl.h.

44{};

◆ basin_hopping_options_

basin_hopping_options_t eonc::Parameters::Impl::basin_hopping_options_ {}

Definition at line 58 of file ParametersImpl.h.

58{};

◆ bgsd_options_

bgsd_options_t eonc::Parameters::Impl::bgsd_options_ {}

Definition at line 61 of file ParametersImpl.h.

61{};

◆ catlearn_options_

catlearn_options_t eonc::Parameters::Impl::catlearn_options_ {}

Definition at line 43 of file ParametersImpl.h.

43{};

◆ constants_

constants_t eonc::Parameters::Impl::constants_ {}

Definition at line 25 of file ParametersImpl.h.

25{};

◆ davidson_options_

davidson_options_t eonc::Parameters::Impl::davidson_options_ {}

Definition at line 48 of file ParametersImpl.h.

48{};

◆ debug_options_

debug_options_t eonc::Parameters::Impl::debug_options_ {}

Definition at line 65 of file ParametersImpl.h.

65{};

◆ dftd_options_

dftd_options_t eonc::Parameters::Impl::dftd_options_ {}

Definition at line 31 of file ParametersImpl.h.

31{};

◆ dimer_options_

dimer_options_t eonc::Parameters::Impl::dimer_options_ {}

Definition at line 40 of file ParametersImpl.h.

40{};

◆ dynamics_options_

dynamics_options_t eonc::Parameters::Impl::dynamics_options_ {}

Definition at line 52 of file ParametersImpl.h.

52{};

◆ expr_options_

expr_options_t eonc::Parameters::Impl::expr_options_ {}

Definition at line 32 of file ParametersImpl.h.

32{};

◆ global_optimization_options_

global_optimization_options_t eonc::Parameters::Impl::global_optimization_options_ {}

Definition at line 59 of file ParametersImpl.h.

59{};

◆ gp_surrogate_options_

gp_surrogate_options_t eonc::Parameters::Impl::gp_surrogate_options_ {}

Definition at line 42 of file ParametersImpl.h.

42{};

◆ gpr_dimer_options_

gpr_dimer_options_t eonc::Parameters::Impl::gpr_dimer_options_ {}

Definition at line 41 of file ParametersImpl.h.

41{};

◆ hessian_options_

hessian_options_t eonc::Parameters::Impl::hessian_options_ {}

Definition at line 50 of file ParametersImpl.h.

50{};

◆ hyperdynamics_options_

hyperdynamics_options_t eonc::Parameters::Impl::hyperdynamics_options_ {}

Definition at line 57 of file ParametersImpl.h.

57{};

◆ instanton_options_

instanton_options_t eonc::Parameters::Impl::instanton_options_ {}

Definition at line 67 of file ParametersImpl.h.

67{};

◆ ira_options_

ira_options_t eonc::Parameters::Impl::ira_options_ {}

Definition at line 64 of file ParametersImpl.h.

64{};

◆ lanczos_options_

lanczos_options_t eonc::Parameters::Impl::lanczos_options_ {}

Definition at line 47 of file ParametersImpl.h.

47{};

◆ last_error

int eonc::Parameters::Impl::last_error {0}

Definition at line 24 of file ParametersImpl.h.

24{0};

◆ last_source

std::string eonc::Parameters::Impl::last_source

Definition at line 23 of file ParametersImpl.h.

◆ main_options_

main_options_t eonc::Parameters::Impl::main_options_ {}

Definition at line 26 of file ParametersImpl.h.

26{};

◆ metatomic_options_

metatomic_options_t eonc::Parameters::Impl::metatomic_options_ {}

Definition at line 46 of file ParametersImpl.h.

46{};

◆ monte_carlo_options_

monte_carlo_options_t eonc::Parameters::Impl::monte_carlo_options_ {}

Definition at line 60 of file ParametersImpl.h.

60{};

◆ mopac_options_

mopac_options_t eonc::Parameters::Impl::mopac_options_ {}

Definition at line 33 of file ParametersImpl.h.

33{};

◆ neb_options_

neb_options_t eonc::Parameters::Impl::neb_options_ {}

Definition at line 51 of file ParametersImpl.h.

51{};

◆ oh_tst_options_

oh_tst_options_t eonc::Parameters::Impl::oh_tst_options_ {}

Definition at line 66 of file ParametersImpl.h.

66{};

◆ optimizer_options_

optimizer_options_t eonc::Parameters::Impl::optimizer_options_ {}

Definition at line 39 of file ParametersImpl.h.

39{};

◆ parallel_replica_options_

parallel_replica_options_t eonc::Parameters::Impl::parallel_replica_options_ {}

Definition at line 53 of file ParametersImpl.h.

53{};

◆ potential_options_

potential_options_t eonc::Parameters::Impl::potential_options_ {}

Definition at line 27 of file ParametersImpl.h.

27{};

◆ prefactor_options_

prefactor_options_t eonc::Parameters::Impl::prefactor_options_ {}

Definition at line 49 of file ParametersImpl.h.

49{};

◆ process_search_options_

process_search_options_t eonc::Parameters::Impl::process_search_options_ {}

Definition at line 37 of file ParametersImpl.h.

37{};

◆ replica_exchange_options_

replica_exchange_options_t eonc::Parameters::Impl::replica_exchange_options_ {}

Definition at line 56 of file ParametersImpl.h.

56{};

◆ rgpot_options_

rgpot_options_t eonc::Parameters::Impl::rgpot_options_ {}

Definition at line 35 of file ParametersImpl.h.

35{};

◆ saddle_search_options_

saddle_search_options_t eonc::Parameters::Impl::saddle_search_options_ {}

Definition at line 38 of file ParametersImpl.h.

38{};

◆ serve_options_

serve_options_t eonc::Parameters::Impl::serve_options_ {}

Definition at line 62 of file ParametersImpl.h.

62{};

◆ socket_nwchem_options_

socket_nwchem_options_t eonc::Parameters::Impl::socket_nwchem_options_ {}

Definition at line 34 of file ParametersImpl.h.

34{};

◆ structure_comparison_options_

structure_comparison_options_t eonc::Parameters::Impl::structure_comparison_options_ {}

Definition at line 36 of file ParametersImpl.h.

36{};

◆ tad_options_

tad_options_t eonc::Parameters::Impl::tad_options_ {}

Definition at line 54 of file ParametersImpl.h.

54{};

◆ thermostat_options_

thermostat_options_t eonc::Parameters::Impl::thermostat_options_ {}

Definition at line 55 of file ParametersImpl.h.

55{};

◆ xtb_options_

xtb_options_t eonc::Parameters::Impl::xtb_options_ {}

Definition at line 29 of file ParametersImpl.h.

29{};

◆ zbl_options_

zbl_options_t eonc::Parameters::Impl::zbl_options_ {}

Definition at line 30 of file ParametersImpl.h.

30{};
The documentation for this struct was generated from the following file: