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termfactory

PyPI Master_workflow_coverage Testing_workflow_coverage codecov codecov

Note that the dev_eTHZ_opteinsum branch is the current working version. If you run into any issues just reach out to me at [email protected].

About

A python package for generating LaTeX and python code for evaluating residual terms. The package is used to generate the einsum equations for the vecc package (link tbd).

At the moment the package provides three primary ansatz:

  • full CC       (H, CC, P)
  • HZ ansatz (H, CC, S, P)
  • e^T HZ      (H, CC, T, eT, P)

Both LaTeX and python code can be generated. Ground state equations are available for all three ansatz. There are no excited state equations available for HZ ansatz.

Install

pip install termfactory

Usage

driver.py is the main argparse interface py driver.py -h

usage: driver.py [-h] [-l /path/filename.txt] [-s] [-t T [T ...]] [-a ANSATZ] [-es EXCITED_STATE] [-rf REMOVE_F_TERMS] [-c] [-lhs] [-p PATH]

Code/Latex Generator

optional arguments:
  -h, --help            show this help message and exit
  -l /path/filename.txt, --log_path /path/filename.txt
                        path to log file (default: default_logging_file.txt)
  -s, --stdlog          provide if you want the log to be piped to stdout (default: False)
  -t T [T ...]          Provided Truncations, example: -t 2 2 2 2 (default: None)
  -a ANSATZ, --ansatz ANSATZ
                        Specify Ansatz (default: None)
  -es EXCITED_STATE, --excited_state EXCITED_STATE
                        Only ground state? (default: True)
  -rf REMOVE_F_TERMS, --remove_f_terms REMOVE_F_TERMS
                        Choose to remove f terms (default: False)
  -c, --code            Generate LaTeX by default; `-c` generates code instead. (default: False)
  -lhs                  Generate LaTeX by default; `-c` generates code instead. (default: False)
  -p PATH, --path PATH  filename of load/save file (default: None)

Examples

Every execution produces three primary files:

  • filename.(py/tex)
  • default_logging_file.txt
  • truncs.json

Generating LaTeX

full CC

RHS

python3 driver.py -t 1 1 1 1

Default filename: ground_state_full_cc_symmetric_equations.tex

LHS

python3 driver.py -t 1 1 1 1 -lhs

Default filename: ground_state_full_cc_special_LHS_terms.tex

HZ ansatz

RHS

python3 driver.py -t 1 1 1 1

Default filename: ground_state_z_t_symmetric_equations.tex

LHS

python3 driver.py -t 1 1 1 1 -lhs

Default filename: ground_state_z_t_special_LHS_terms.tex

e^T HZ

RHS

python3 driver.py -t 1 1 1 1 1

Default filename: ground_state_eT_z_t_symmetric_equations.tex

LHS

python3 driver.py -t 1 1 1 1 1 -lhs

Default filename: ground_state_eT_z_t_special_LHS_terms.tex

Generating Python code

full CC

RHS

python3 driver.py -t 1 1 1 1 -c

Default filename: ground_state_full_cc_equations.py

LHS

python3 driver.py -t 1 1 1 1 1 -c -lhs

Default filename: ground_state_full_cc_special_LHS_equations.py

HZ ansatz

There is no code generator implemented for the HZ ansatz

e^T HZ

RHS

python3 driver.py -t 1 1 1 1 1 -c

Default filename: eT_zhz_eqs_RHS_H(1)_P(1)_T(1)_exp(1)_Z(1).py

LHS

python3 driver.py -t 1 1 1 1 1 -c -lhs

Default filename: eT_zhz_eqs_LHS_H(1)_P(1)_T(1)_exp(1)_Z(1).py