DPTI’s documentation

DPTI is a Python package to automate thermodynamic integration (TI) calculations for free energy.

Contents:

• Install DPTI
• Getting Started
• Command line interface
  • modules
  • Sub-commands
• DPTI API
  • dpti package

Examples

• Phase Diagram of Water

Project details

• Authors

Indices and tables

• Index

• Module Index

• Search Page