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Find DeePMD-kit C/C++ library from CMake
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Functions
Template Function _DP_DeepPotCompute
Specialized Template Function _DP_DeepPotCompute< double >
Specialized Template Function _DP_DeepPotCompute< float >
Template Function _DP_DeepPotComputeMixedType
Specialized Template Function _DP_DeepPotComputeMixedType< double >
Specialized Template Function _DP_DeepPotComputeMixedType< float >
Template Function _DP_DeepPotComputeNList
Specialized Template Function _DP_DeepPotComputeNList< double >
Specialized Template Function _DP_DeepPotComputeNList< float >
Template Function _DP_DeepPotModelDeviComputeNList
Specialized Template Function _DP_DeepPotModelDeviComputeNList< double >
Specialized Template Function _DP_DeepPotModelDeviComputeNList< float >
Template Function _DP_DeepTensorCompute
Specialized Template Function _DP_DeepTensorCompute< double >
Specialized Template Function _DP_DeepTensorCompute< float >
Template Function _DP_DeepTensorComputeNList
Specialized Template Function _DP_DeepTensorComputeNList< double >
Specialized Template Function _DP_DeepTensorComputeNList< float >
Template Function _DP_DeepTensorComputeTensor
Specialized Template Function _DP_DeepTensorComputeTensor< double >
Specialized Template Function _DP_DeepTensorComputeTensor< float >
Template Function _DP_DeepTensorComputeTensorNList
Specialized Template Function _DP_DeepTensorComputeTensorNList< double >
Specialized Template Function _DP_DeepTensorComputeTensorNList< float >
Template Function _DP_DipoleChargeModifierComputeNList
Specialized Template Function _DP_DipoleChargeModifierComputeNList< double >
Specialized Template Function _DP_DipoleChargeModifierComputeNList< float >
Function _DP_Get_Energy_Pointer(std::vector<double>&, const int)
Function _DP_Get_Energy_Pointer(double&, const int)
Function deepmd::hpp::convert_nlist
Function deepmd::hpp::convert_pbtxt_to_pb
Function deepmd::hpp::read_file_to_string
Template Function deepmd::hpp::select_by_type
Template Function deepmd::hpp::select_map
Function DP_ConvertPbtxtToPb
Function DP_DeepPotCheckOK
Function DP_DeepPotCompute
Function DP_DeepPotCompute2
Function DP_DeepPotComputef
Function DP_DeepPotComputef2
Function DP_DeepPotComputeMixedType
Function DP_DeepPotComputeMixedTypef
Function DP_DeepPotComputeNList
Function DP_DeepPotComputeNList2
Function DP_DeepPotComputeNListf
Function DP_DeepPotComputeNListf2
Function DP_DeepPotGetCutoff
Function DP_DeepPotGetDimAParam
Function DP_DeepPotGetDimFParam
Function DP_DeepPotGetNumbTypes
Function DP_DeepPotGetNumbTypesSpin
Function DP_DeepPotGetTypeMap
Function DP_DeepPotModelDeviCheckOK
Function DP_DeepPotModelDeviComputeNList
Function DP_DeepPotModelDeviComputeNList2
Function DP_DeepPotModelDeviComputeNListf
Function DP_DeepPotModelDeviComputeNListf2
Function DP_DeepPotModelDeviGetCutoff
Function DP_DeepPotModelDeviGetDimAParam
Function DP_DeepPotModelDeviGetDimFParam
Function DP_DeepPotModelDeviGetNumbTypes
Function DP_DeepPotModelDeviGetNumbTypesSpin
Function DP_DeepTensorCheckOK
Function DP_DeepTensorCompute
Function DP_DeepTensorComputef
Function DP_DeepTensorComputeNList
Function DP_DeepTensorComputeNListf
Function DP_DeepTensorComputeTensor
Function DP_DeepTensorComputeTensorf
Function DP_DeepTensorComputeTensorNList
Function DP_DeepTensorComputeTensorNListf
Function DP_DeepTensorGetCutoff
Function DP_DeepTensorGetNumbSelTypes
Function DP_DeepTensorGetNumbTypes
Function DP_DeepTensorGetOutputDim
Function DP_DeepTensorGetSelTypes
Function DP_DipoleChargeModifierCheckOK
Function DP_DipoleChargeModifierComputeNList
Function DP_DipoleChargeModifierComputeNListf
Function DP_DipoleChargeModifierGetCutoff
Function DP_DipoleChargeModifierGetNumbSelTypes
Function DP_DipoleChargeModifierGetNumbTypes
Function DP_DipoleChargeModifierGetSelTypes
Function DP_NewDeepPot
Function DP_NewDeepPotModelDevi
Function DP_NewDeepPotModelDeviWithParam
Function DP_NewDeepPotWithParam
Function DP_NewDeepPotWithParam2
Function DP_NewDeepTensor
Function DP_NewDeepTensorWithParam
Function DP_NewDipoleChargeModifier
Function DP_NewDipoleChargeModifierWithParam
Function DP_NewNlist
Function DP_NlistCheckOK
Function DP_PrintSummary
Function DP_ReadFileToChar
Function DP_ReadFileToChar2
Function DP_SelectByType
Function DP_SelectMapInt
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DeePMD-kit
C API
Template Function _DP_DeepTensorComputeTensorNList
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Template Function _DP_DeepTensorComputeTensorNList
Defined in
File deepmd.hpp
Function Documentation
template
<
typename
FPTYPE
>
inline
void
_DP_DeepTensorComputeTensorNList
(
DP_DeepTensor
*
dt
,
const
int
natom
,
const
FPTYPE
*
coord
,
const
int
*
atype
,
const
FPTYPE
*
cell
,
const
int
nghost
,
const
DP_Nlist
*
nlist
,
FPTYPE
*
*
tensor
,
int
*
size
)
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