Class DeepBaseModel#
Defined in File deepmd.hpp
Inheritance Relationships#
Derived Types#
public deepmd::hpp::DeepPot(Class DeepPot)public deepmd::hpp::DeepSpin(Class DeepSpin)
Class Documentation#
- class DeepBaseModel#
Deep Potential Base Model.
Subclassed by deepmd::hpp::DeepPot, deepmd::hpp::DeepSpin
Public Functions
- inline DeepBaseModel()#
DP Base Model constructor without initialization.
- inline virtual ~DeepBaseModel()#
- inline double cutoff() const#
Get the cutoff radius.
- Returns:
The cutoff radius.
- inline int numb_types() const#
Get the number of types.
- Returns:
The number of types.
- inline int numb_types_spin() const#
Get the number of types with spin.
- Returns:
The number of types with spin.
- inline 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.
- inline void print_summary(const std::string &pre) const#
Print the summary of DeePMD-kit, including the version and the build information.
- Parameters:
pre – [in] The prefix to each line.
- inline int dim_fparam() const#
Get the dimension of the frame parameter.
- Returns:
The dimension of the frame parameter.
- inline int dim_aparam() const#
Get the dimension of the atomic parameter.
- Returns:
The dimension of the atomic parameter.
- inline DeepBaseModel()#