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DeePMD-kit
v2.1.4
Getting Started
Getting Started
Advanced
1. Installation
2. Data
3. Model
4. Training
5. Freeze and Compress
6. Test
7. Inference
8. Command line interface
9. Integrate with third-party packages
10. Use NVNMD
11. FAQs
Developer Guide
Coding Conventions
Create a model
Atom Type Embedding
Python API
OP API
C++ API
Core API
Class Hierarchy
File Hierarchy
Full API
Namespaces
Classes and Structs
Struct deepmd_exception
Struct deepmd_exception_oom
Template Struct EwaldParameters
Struct InputNlist
Template Struct Region
Template Struct DescrptSeRGPUExecuteFunctor
Template Struct GeluGPUExecuteFunctor
Template Struct GeluGradGPUExecuteFunctor
Template Struct GeluGradGradGPUExecuteFunctor
Template Struct ProdForceSeAGPUExecuteFunctor
Template Struct ProdForceSeRGPUExecuteFunctor
Template Struct ProdVirialSeAGPUExecuteFunctor
Template Struct ProdVirialSeRGPUExecuteFunctor
Template Struct TabulateCheckerGPUExecuteFunctor
Template Struct TabulateFusionGPUExecuteFunctor
Template Struct TabulateFusionGradGPUExecuteFunctor
Template Class SimulationRegion
Functions
Variables
Defines
Typedefs
Project Details
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DeePMD-kit
»
Core API
»
Template Struct EwaldParameters
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Template Struct EwaldParameters
Defined in
File ewald.h
Struct Documentation
template
<
typename
VALUETYPE
>
struct
EwaldParameters
Public Members
VALUETYPE
rcut
=
6.0
VALUETYPE
beta
=
2
VALUETYPE
spacing
=
4
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v: v2.1.4
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