Class DeepBaseModelBackend

Class DeepBaseModelBackend#

Inheritance Relationships#

Derived Types#

Class Documentation#

class DeepBaseModelBackend#

Deep Potential Base Model.

Subclassed by deepmd::DeepPotBackend, deepmd::DeepSpinBackend

Public Functions

inline DeepBaseModelBackend()#

DP constructor without initialization.

inline virtual ~DeepBaseModelBackend()#
DeepBaseModelBackend(const std::string &model, const int &gpu_rank = 0, const std::string &file_content = "")#

DP constructor with initialization.

Parameters:

  • model – [in] The name of the frozen model file.

  • gpu_rank – [in] The GPU rank. Default is 0.

  • file_content – [in] The content of the model file. If it is not empty, DP will read from the string instead of the file.

virtual void init(const std::string &model, const int &gpu_rank = 0, const std::string &file_content = "") = 0#

Initialize the DP.

Parameters:

  • model – [in] The name of the frozen model file.

  • gpu_rank – [in] The GPU rank. Default is 0.

  • file_content – [in] The content of the model file. If it is not empty, DP will read from the string instead of the file.

virtual double cutoff() const = 0#

Get the cutoff radius.

Returns:

The cutoff radius.

virtual int numb_types() const = 0#

Get the number of types.

Returns:

The number of types.

virtual int numb_types_spin() const = 0#

Get the number of types with spin.

Returns:

The number of types with spin.

virtual int dim_fparam() const = 0#

Get the dimension of the frame parameter.

Returns:

The dimension of the frame parameter.

virtual int dim_aparam() const = 0#

Get the dimension of the atomic parameter.

Returns:

The dimension of the atomic parameter.

virtual void get_type_map(std::string &type_map) = 0#

Get the type map (element name of the atom types) of this model.

Parameters:

type_map – [out] The type map of this model.

virtual bool is_aparam_nall() const = 0#

Get whether the atom dimension of aparam is nall instead of fparam.

Parameters:

aparam_nall – [out] whether the atom dimension of aparam is nall instead of fparam.