class rgpot::CPMDPot

Overview

class CPMDPot: public rgpot::Potential< CPMDPot > {
public:
    // structs
 
    struct Impl;
 
    // construction
 
    CPMDPot();
    CPMDPot(const ::CPMDParams::Reader& params);
    CPMDPot(const CPMDPot&);
    ~CPMDPot();
 
    // methods
 
    CPMDPot& operator=(const CPMDPot&);
    void forceImpl(const ForceInput& in, ForceOut* out) const;
    virtual PotCaps caps() const;
    bool setParams(const ::CPMDParams::Reader& params);
    void getParams(::CPMDParams::Builder out) const;
    bool setPotentialConfig(const ::PotentialConfig::Reader& cfg, std::string* message_out = nullptr);
    bool available() const;
    static bool probe_available();
    static bool abi_available();
};

Detailed Documentation

Methods

virtual PotCaps caps() const

The dlopen’d engine keeps global session state: serialize process-wide.