Welcome to SEAMM thermochemistry’s documentation!

Contents:

• Getting Started
  • Installing
  • Fetching the reference database
  • A quick example
  • Two reference conventions, one schema
  • Importing ORCA results
  • Active Thermochemical Tables
  • Reference values ATcT lacks
  • The fragment-energy store
  • ZPE scale factors
  • Laddered reference values (CBH-ANL)
  • Connectivity-based hierarchy (CBH) reactions
• API Documentation
  • seamm_thermochemistry
  • Indices and tables
• Developer Documentation
  • Campaigns

Indices and tables

• Index

• Module Index

• Search Page