AtomDB
0.0.1
Introduction
About
License
Citing AtomDB
Code of Conduct
User Documentation
Installation
Setup
Tutorials
Getting Started
Requirements
Script usage
Atom-DB as a Python library
Loading/Dumping Data
Getting Atomic Properties
Promolecule properties
Building a promolecule
Extensive (global) properties
Extensive (local) properties: density properties
Visualizing density properties
Intensive properties
Promolecule with floating point charges and/or multiplicities
Non Covalent Interactions from Promolecular Densities
Packages install for Google Colab
API Reference
atomdb
atomdb package
Subpackages
atomdb.datasets package
Submodules
atomdb.periodic module
atomdb.promolecule module
atomdb.species module
atomdb.utils module
atomdb.version module
Module contents
AtomDB
atomdb
atomdb package
atomdb.datasets package
atomdb.datasets.uhf_augccpvdz package
atomdb.datasets.uhf_augccpvdz package
Submodules
atomdb.datasets.uhf_augccpvdz.run module
Module contents
UHF dataset.