C API

Class Hierarchy

File Hierarchy

Directory source
- Directory api_c
  Directory include
  File c_api.h
  File c_api_internal.h
  File deepmd.hpp

Full API

Namespaces

Namespace deepmd
- Namespaces

Namespace deepmd::hpp
- Classes
- Functions

Functions

Template Function _DP_DeepPotCompute
- Function Documentation

Specialized Template Function _DP_DeepPotCompute< double >
- Function Documentation

Specialized Template Function _DP_DeepPotCompute< float >
- Function Documentation

Template Function _DP_DeepPotComputeMixedType
- Function Documentation

Specialized Template Function _DP_DeepPotComputeMixedType< double >
- Function Documentation

Specialized Template Function _DP_DeepPotComputeMixedType< float >
- Function Documentation

Template Function _DP_DeepPotComputeNList
- Function Documentation

Specialized Template Function _DP_DeepPotComputeNList< double >
- Function Documentation

Specialized Template Function _DP_DeepPotComputeNList< float >
- Function Documentation

Template Function _DP_DeepPotModelDeviCompute
- Function Documentation

Specialized Template Function _DP_DeepPotModelDeviCompute< double >
- Function Documentation

Specialized Template Function _DP_DeepPotModelDeviCompute< float >
- Function Documentation

Template Function _DP_DeepPotModelDeviComputeNList
- Function Documentation

Specialized Template Function _DP_DeepPotModelDeviComputeNList< double >
- Function Documentation

Specialized Template Function _DP_DeepPotModelDeviComputeNList< float >
- Function Documentation

Template Function _DP_DeepTensorCompute
- Function Documentation

Specialized Template Function _DP_DeepTensorCompute< double >
- Function Documentation

Specialized Template Function _DP_DeepTensorCompute< float >
- Function Documentation

Template Function _DP_DeepTensorComputeNList
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeNList< double >
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeNList< float >
- Function Documentation

Template Function _DP_DeepTensorComputeTensor
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeTensor< double >
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeTensor< float >
- Function Documentation

Template Function _DP_DeepTensorComputeTensorNList
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeTensorNList< double >
- Function Documentation

Specialized Template Function _DP_DeepTensorComputeTensorNList< float >
- Function Documentation

Template Function _DP_DipoleChargeModifierComputeNList
- Function Documentation

Specialized Template Function _DP_DipoleChargeModifierComputeNList< double >
- Function Documentation

Specialized Template Function _DP_DipoleChargeModifierComputeNList< float >
- Function Documentation

Function _DP_Get_Energy_Pointer(std::vector<double>&, const int)
- Function Documentation

Function _DP_Get_Energy_Pointer(double&, const int)
- Function Documentation

Function deepmd::hpp::convert_nlist
- Function Documentation

Function deepmd::hpp::convert_pbtxt_to_pb
- Function Documentation

Function deepmd::hpp::read_file_to_string
- Function Documentation

Template Function deepmd::hpp::select_by_type
- Function Documentation

Template Function deepmd::hpp::select_map
- Function Documentation

Function DP_ConvertPbtxtToPb
- Function Documentation

Function DP_DeepPotCheckOK
- Function Documentation

Function DP_DeepPotCompute
- Function Documentation

Function DP_DeepPotCompute2
- Function Documentation

Function DP_DeepPotComputef
- Function Documentation

Function DP_DeepPotComputef2
- Function Documentation

Function DP_DeepPotComputeMixedType
- Function Documentation

Function DP_DeepPotComputeMixedTypef
- Function Documentation

Function DP_DeepPotComputeNList
- Function Documentation

Function DP_DeepPotComputeNList2
- Function Documentation

Function DP_DeepPotComputeNListf
- Function Documentation

Function DP_DeepPotComputeNListf2
- Function Documentation

Function DP_DeepPotGetCutoff
- Function Documentation

Function DP_DeepPotGetDimAParam
- Function Documentation

Function DP_DeepPotGetDimFParam
- Function Documentation

Function DP_DeepPotGetNumbTypes
- Function Documentation

Function DP_DeepPotGetNumbTypesSpin
- Function Documentation

Function DP_DeepPotGetTypeMap
- Function Documentation

Function DP_DeepPotIsAParamNAll
- Function Documentation

Function DP_DeepPotModelDeviCheckOK
- Function Documentation

Function DP_DeepPotModelDeviCompute
- Function Documentation

Function DP_DeepPotModelDeviCompute2
- Function Documentation

Function DP_DeepPotModelDeviComputef
- Function Documentation

Function DP_DeepPotModelDeviComputef2
- Function Documentation

Function DP_DeepPotModelDeviComputeNList
- Function Documentation

Function DP_DeepPotModelDeviComputeNList2
- Function Documentation

Function DP_DeepPotModelDeviComputeNListf
- Function Documentation

Function DP_DeepPotModelDeviComputeNListf2
- Function Documentation

Function DP_DeepPotModelDeviGetCutoff
- Function Documentation

Function DP_DeepPotModelDeviGetDimAParam
- Function Documentation

Function DP_DeepPotModelDeviGetDimFParam
- Function Documentation

Function DP_DeepPotModelDeviGetNumbTypes
- Function Documentation

Function DP_DeepPotModelDeviGetNumbTypesSpin
- Function Documentation

Function DP_DeepPotModelDeviIsAParamNAll
- Function Documentation

Function DP_DeepTensorCheckOK
- Function Documentation

Function DP_DeepTensorCompute
- Function Documentation

Function DP_DeepTensorComputef
- Function Documentation

Function DP_DeepTensorComputeNList
- Function Documentation

Function DP_DeepTensorComputeNListf
- Function Documentation

Function DP_DeepTensorComputeTensor
- Function Documentation

Function DP_DeepTensorComputeTensorf
- Function Documentation

Function DP_DeepTensorComputeTensorNList
- Function Documentation

Function DP_DeepTensorComputeTensorNListf
- Function Documentation

Function DP_DeepTensorGetCutoff
- Function Documentation

Function DP_DeepTensorGetNumbSelTypes
- Function Documentation

Function DP_DeepTensorGetNumbTypes
- Function Documentation

Function DP_DeepTensorGetOutputDim
- Function Documentation

Function DP_DeepTensorGetSelTypes
- Function Documentation

Function DP_DeepTensorGetTypeMap
- Function Documentation

Function DP_DeleteChar
- Function Documentation

Function DP_DeleteDeepPot
- Function Documentation

Function DP_DeleteDeepPotModelDevi
- Function Documentation

Function DP_DeleteDeepTensor
- Function Documentation

Function DP_DeleteDipoleChargeModifier
- Function Documentation

Function DP_DeleteNlist
- Function Documentation

Function DP_DipoleChargeModifierCheckOK
- Function Documentation

Function DP_DipoleChargeModifierComputeNList
- Function Documentation

Function DP_DipoleChargeModifierComputeNListf
- Function Documentation

Function DP_DipoleChargeModifierGetCutoff
- Function Documentation

Function DP_DipoleChargeModifierGetNumbSelTypes
- Function Documentation

Function DP_DipoleChargeModifierGetNumbTypes
- Function Documentation

Function DP_DipoleChargeModifierGetSelTypes
- Function Documentation

Function DP_NewDeepPot
- Function Documentation

Function DP_NewDeepPotModelDevi
- Function Documentation

Function DP_NewDeepPotModelDeviWithParam
- Function Documentation

Function DP_NewDeepPotWithParam
- Function Documentation

Function DP_NewDeepPotWithParam2
- Function Documentation

Function DP_NewDeepTensor
- Function Documentation

Function DP_NewDeepTensorWithParam
- Function Documentation

Function DP_NewDipoleChargeModifier
- Function Documentation

Function DP_NewDipoleChargeModifierWithParam
- Function Documentation

Function DP_NewNlist
- Function Documentation

Function DP_NlistCheckOK
- Function Documentation

Function DP_PrintSummary
- Function Documentation

Function DP_ReadFileToChar
- Function Documentation

Function DP_ReadFileToChar2
- Function Documentation

Function DP_SelectByType
- Function Documentation

Function DP_SelectMapInt
- Function Documentation

Defines

Define DP_CHECK_OK
- Define Documentation

Define DP_NEW_OK
- Define Documentation

Define DP_REQUIRES_OK
- Define Documentation

Typedefs

Typedef DP_DeepPot
- Typedef Documentation

Typedef DP_DeepPotModelDevi
- Typedef Documentation

Typedef DP_DeepTensor
- Typedef Documentation

Typedef DP_DipoleChargeModifier
- Typedef Documentation

Typedef DP_Nlist
- Typedef Documentation