Class DeepBaseModel

Class DeepBaseModel#

Inheritance Relationships#

Derived Types#

Class Documentation#

class DeepBaseModel#

Deep Potential Base Model to automatically switch backends.

Subclassed by deepmd::DeepPot, deepmd::DeepSpin

Public Functions

DeepBaseModel()#

DP constructor without initialization.

virtual ~DeepBaseModel()#
DeepBaseModel(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.

void print_summary(const std::string &pre) const#

Print the DP summary to the screen.

Parameters:

pre – [in] The prefix to each line.

double cutoff() const#

Get the cutoff radius.

Returns:

The cutoff radius.

int numb_types() const#

Get the number of types.

Returns:

The number of types.

int numb_types_spin() const#

Get the number of types with spin.

Returns:

The number of types with spin.

int dim_fparam() const#

Get the dimension of the frame parameter.

Returns:

The dimension of the frame parameter.

int dim_aparam() const#

Get the dimension of the atomic parameter.

Returns:

The dimension of the atomic parameter.

void get_type_map(std::string &type_map)#

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

Parameters:

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

bool is_aparam_nall() const#

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.

Protected Attributes

bool inited#
std::shared_ptr<deepmd::DeepBaseModelBackend> dpbase#