Loading...
Searching...
No Matches
RGPotEngine::Impl Struct Reference

Public Types

enum class  Backend { Nwchemc , Cpmdc , Metatomic , Xtb }

Public Attributes

Backend backend {Backend::Nwchemc}
std::unique_ptr< rgpot::NWChemPot > nwchem
std::unique_ptr< rgpot::CPMDPot > cpmd
std::unique_ptr< MetatomicEngineLoader > metatomic
std::unique_ptr< XTBEngineLoader > xtb

Detailed Description

Definition at line 71 of file RGPotEngine.cpp.

Member Enumeration Documentation

◆ Backend

enum class RGPotEngine::Impl::Backend
strong
Enumerator
Nwchemc 
Cpmdc 
Metatomic 
Xtb 

Definition at line 72 of file RGPotEngine.cpp.

72{ Nwchemc, Cpmdc, Metatomic, Xtb };

Member Data Documentation

◆ backend

Backend RGPotEngine::Impl::backend {Backend::Nwchemc}

Definition at line 73 of file RGPotEngine.cpp.

73{Backend::Nwchemc};

◆ cpmd

std::unique_ptr<rgpot::CPMDPot> RGPotEngine::Impl::cpmd

Definition at line 75 of file RGPotEngine.cpp.

◆ metatomic

std::unique_ptr<MetatomicEngineLoader> RGPotEngine::Impl::metatomic

Definition at line 76 of file RGPotEngine.cpp.

◆ nwchem

std::unique_ptr<rgpot::NWChemPot> RGPotEngine::Impl::nwchem

Definition at line 74 of file RGPotEngine.cpp.

◆ xtb

std::unique_ptr<XTBEngineLoader> RGPotEngine::Impl::xtb

Definition at line 77 of file RGPotEngine.cpp.

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