Code to generate DSRG equations based on generalized normal ordering

Requirement

• Python 3.6
• SymPy
• pytest

Design Documentation

Project Variables, Functions, Classes

• mo_space.py: MO space info
• integer_partition.py: function to partition an integer

Core Classes

• Index.py: Index class
• Indices.py: Indices class
• IndicesPair.py: IndicesPair class
• SQOperator.py: SecondQuantizedOperator class
• Tensor.py: Tensor class
• Term.py: Term class

Operator Contraction Functions

• sqop_contraction.py: contractions of string of creation and annihilation operators
• phys_contraction.py: contractions of physical operators

Testing

Run command python -m pytest tests