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Welcome to AtomDB’s documentation!

User Documentation

Installation

Example Tutorials

Getting Started
Promolecule properties: Introduction
Promolecular properties: water dimer

API Documentation

atomdb package
- atomdb.datasets package

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.rst

atomdb.datasets.uhf_augccpvdz package

Contents

Submodules
atomdb.datasets.uhf_augccpvdz.run module

atomdb.datasets.uhf_augccpvdz package#

UHF dataset.

Submodules#

atomdb.datasets.uhf_augccpvdz.run module#

previous

atomdb.datasets.slater package

Contents

Submodules
atomdb.datasets.uhf_augccpvdz.run module

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