pydmqmc documentation

The pydmqmc package let’s you quickly assemble finite-temperature many-electron calculations (is that a suitable name for the range of calculations spanned by DMQMC, FCI and others?). It serves as library with which your own scripts can be written and executed.

Contents:

• Installation
  • Installing with pip
  • Building from Source
• Quickstart Guide
  • The Structure of pydmqmc
  • Primer on Object Oriented Programming
  • Using pydmqmc
  • Navigating the Source Code
• Using the Available Systems
  • System Defined by a Hamiltonian Matrix Only
  • Integral-Defined System
• Using the Available Methods
  • Analytic Methods
  • Iterative Methods
• Iteration Progress Reports
  • Specifying Reportable Quantities
  • Accessing the Iteration Report
  • Advanced Usage
• Developer Guide
  • Design Philosophy
  • Writing New Systems
  • Writing New Methods
  • Using Numba to Accelerate Methods
• API Reference
  • Systems Submodule
  • Methods Submodule
  • Utils Submodule
  • Report Registry