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DeePMD-kit
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1. Installation
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5. Freeze and Compress
6. Test
7. Inference
8. Command line interface
9. Integrate with third-party packages
10. Use NVNMD
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Tutorial
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Developer Guide
Find DeePMD-kit C/C++ library from CMake
Create a model
Atom Type Embedding
Coding Conventions
CI/CD
Python API
OP API
C++ API
C API
Core API
Class Hierarchy
File Hierarchy
Full API
Namespaces
Classes and Structs
Unions
Functions
Variables
Defines
Define DPErrcheck
Define DPErrcheck
Define FLT_MASK
Define GPU_MAX_NBOR_SIZE
Define GPU_MAX_NBOR_SIZE
Define gpuDeviceSynchronize
Define gpuDeviceSynchronize
Define gpuGetLastError
Define gpuGetLastError
Define gpuMemcpy
Define gpuMemcpy
Define gpuMemcpyDeviceToDevice
Define gpuMemcpyDeviceToDevice
Define gpuMemcpyDeviceToHost
Define gpuMemcpyDeviceToHost
Define gpuMemcpyHostToDevice
Define gpuMemcpyHostToDevice
Define gpuMemset
Define gpuMemset
Define MOASPNDIM
Define NBIT_CUTF
Define NBIT_FLTF
Define nborErrcheck
Define nborErrcheck
Define SQRT_2_PI
Define TPB
Typedefs
Project Details
License
Authors and Credits
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DeePMD-kit
Core API
Define MOASPNDIM
Edit on GitHub
Define MOASPNDIM
Defined in
File SimulationRegion.h
Define Documentation
MOASPNDIM
Read the Docs
v: master
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