Home

User Guide

1. Introduction
2. Installation
3. Basic usage
4. XML format force field
5. Theory

Developer Guide

1. Introduction
2. Software architecture
3. Coding conventions
4. Document Writing

Modules

ADMP
- Introduction
- Frontends

API

admp
- disp_pme
- mbpol_intra
- multipole
- pairwise
- parser
- pme
- recip
- settings
- spatial
api
classical
- fep
- inter
- intra
common
- constants
- nblist
settings
sgnn
- gnn
- graph
utils

About

License

DMFF

»
ADMP

ADMP

Automatic Differentiable Multipolar Polarizable (ADMP) force field calculator.

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