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Further update of the code documentation to current state of the code
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‎.readthedocs.yml

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# Set the version of Python and other tools you might need
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build:
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os: ubuntu-20.04
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os: ubuntu-lts-latest
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tools:
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python: "3.9"
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python: latest
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# Build documentation in the docs/ directory with Sphinx
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sphinx:

‎.zenodo.json

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{
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"creators": [
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{
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"orcid": "0000-0003-4513-5139",
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"affiliation": "Freie Universität Berlin",
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"name": "Naumann, Jan"
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},
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{
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"orcid": "0000-0001-5534-6103",
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"affiliation": "Freie Universität Berlin",
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"name": "Schmoll, Philipp"
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},
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{
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"orcid": "0000-0002-6224-1964",
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"affiliation": "Freie Universität Berlin",
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"name": "Wilde, Frederik"
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},
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{
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"affiliation": "Freie Universität Berlin",
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"name": "Krein, Finn"
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}
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],
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"contributors": [
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{
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"orcid": "0009-0006-8139-8648",
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"affiliation": "University of Cologne",
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"name": "Weerda, Erik Lennart",
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"type": "Researcher"
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},
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{
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"orcid": "0000-0002-8283-1005",
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"affiliation": "University of Cologne",
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"name": "Rizzi, Matteo",
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"type": "Supervisor"
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},
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{
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"orcid": "0000-0003-3033-1292",
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"affiliation": "Freie Universität Berlin",
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"name": "Eisert, Jens",
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"type": "Supervisor"
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}
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],
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"description": "A versatile tensor network library for variational ground state simulations in two spatial dimensions.",
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"license": "GPL-3.0-or-later",
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"title": "variPEPS (Python version)",
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"related_identifiers": [
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{
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"identifier": "arXiv:2308.12358",
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"relation": "isDocumentedBy",
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"resource_type": "publication-preprint"
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},
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{
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"identifier": "https://varipeps.readthedocs.io/en/stable/",
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"relation": "isDocumentedBy",
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"resource_type": "publication-softwaredocumentation"
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}
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],
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"keywords": ["peps", "tensor-networks", "variational-optimization"],
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"communities": [
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{"identifier": "crc183"}
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]
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}

‎CITATION.cff

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# This CITATION.cff file was generated with cffinit.
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# Visit https://bit.ly/cffinit to generate yours today!
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cff-version: 1.2.0
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title: variPEPS (Python version)
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message: >-
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If you use this software, please cite it using the
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metadata from this file.
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type: software
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authors:
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- given-names: Jan
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family-names: Naumann
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email: [email protected]
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affiliation: Freie Universität Berlin
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orcid: 'https://orcid.org/0000-0003-4513-5139'
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- given-names: Schmoll
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family-names: Philipp
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affiliation: Freie Universität Berlin
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orcid: 'https://orcid.org/0000-0001-5534-6103'
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email: [email protected]
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- given-names: Wilde
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orcid: 'https://orcid.org/0000-0002-6224-1964'
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family-names: Frederik
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affiliation: Freie Universität Berlin
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- given-names: Krein
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family-names: Finn
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identifiers:
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- type: doi
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value: 10.48550/arXiv.2308.12358
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description: arXiv preprint of the description of the method
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- type: doi
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value: 10.5281/zenodo.10852390
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description: Zenodo DOI for current version of the code
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repository-code: 'https://github.com/variPEPS/variPEPS_Python'
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url: 'https://varipeps.readthedocs.io/en/stable'
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abstract: >-
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A versatile tensor network library for variational ground
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state simulations in two spatial dimensions
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keywords:
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- peps
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- tensor-networks
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- variational-optimization
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license: GPL-3.0-or-later

‎README.md

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PEPS algorithms in Python
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=========================
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variPEPS -- Versatile tensor network library for variational ground state simulations in two spatial dimensions.
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================================================================================================================
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[![DOI](https://zenodo.org/badge/773767511.svg)](https://zenodo.org/doi/10.5281/zenodo.10852390)
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[![Documentation Status](https://readthedocs.org/projects/varipeps/badge/?version=latest)](https://varipeps.readthedocs.io/en/stable/?badge=latest)
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Install dependencies
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--------------------

‎docs/requirements.txt

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sphinx>=4.4.0
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sphinx_rtd_theme>=1.0.0
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sphinx_autodoc_defaultargs>=0.1.2
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sphinx_subfigure>=0.2.4

‎docs/source/api/config.rst

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.. currentmodule:: varipeps.config
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Config of PEPS-AD module (:mod:`varipeps.config`)
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================================================
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=================================================
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.. automodule:: varipeps.config
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:members:

‎docs/source/api/contractions/apply.rst

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.. currentmodule:: varipeps.contractions
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Apply a contraction (:func:`varipeps.contractions.apply_contraction`)
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====================================================================
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=====================================================================
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.. autofunction:: apply_contraction

‎docs/source/api/contractions/definitions.rst

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.. currentmodule:: varipeps.contractions
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Definitions for contractions (:class:`varipeps.contractions.Definitions`)
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========================================================================
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=========================================================================
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.. autoclass:: Definitions
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:members:

‎docs/source/api/contractions/index.rst

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.. currentmodule:: varipeps.contractions
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Contractions definitions and helper methods (:mod:`varipeps.contractions`)
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=========================================================================
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==========================================================================
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.. toctree::
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:maxdepth: 2

‎docs/source/api/ctmrg/absorption.rst

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.. currentmodule:: varipeps.ctmrg.absorption
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Calculate the new CTMRG tensors for a single step (:mod:`varipeps.ctmrg.absorption`)
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===================================================================================
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====================================================================================
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.. automodule:: varipeps.ctmrg.absorption
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:members:

‎docs/source/api/ctmrg/index.rst

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.. currentmodule:: varipeps.ctmrg
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CTMRG method (:mod:`varipeps.ctmrg`)
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===================================
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====================================
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.. toctree::
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:maxdepth: 2

‎docs/source/api/ctmrg/projectors.rst

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.. currentmodule:: varipeps.ctmrg.projectors
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Calculation of CTMRG projectors (:mod:`varipeps.ctmrg.projectors`)
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==================================================================
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.. automodule:: varipeps.ctmrg.projectors
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‎docs/source/api/ctmrg/routine.rst

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.. currentmodule:: varipeps.ctmrg
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Calculate the new converged CTMRG tensors (:func:`varipeps.ctmrg.calc_ctmrg_env` and :func:`peps_ad.ctmrg.calc_ctmrg_env_custom_rule`)
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.. autofunction:: calc_ctmrg_env
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‎docs/source/api/expectation/index.rst

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.. currentmodule:: varipeps.expectation
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Calculation of expectation values (:mod:`varipeps.expectation`)
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===============================================================
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one_site
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two_sites
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three_sites
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spiral_helpers
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‎docs/source/api/expectation/spiral_helpers.rst

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.. _varipeps_expectation_spiral_helpers:
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.. currentmodule:: varipeps.expectation.spiral_helpers
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Helper functions for spiral iPEPS ansatz
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========================================
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.. automodule:: varipeps.expectation.spiral_helpers
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:members:
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:undoc-members:
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:show-inheritance:
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:special-members: __call__

‎docs/source/api/mapping/florett_pentagon.rst

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.. _varipeps_mapping_florett_pentagon:
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.. currentmodule:: varipeps.mapping.florett_pentagon
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Mapping of Floret-Pentagon structures (:mod:`varipeps.mapping.florett_pentagon`)
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================================================================================
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.. automodule:: varipeps.mapping.florett_pentagon
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:members:
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:undoc-members:
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:show-inheritance:
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:special-members: __call__

‎docs/source/api/mapping/honeycomb.rst

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.. _varipeps_mapping_honeycomb:
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.. currentmodule:: varipeps.mapping.honeycomb
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Mapping of Honeycomb structures (:mod:`varipeps.mapping.honeycomb`)
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===================================================================
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.. automodule:: varipeps.mapping.honeycomb
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:members:
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:undoc-members:
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:show-inheritance:
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:special-members: __call__

‎docs/source/api/mapping/index.rst

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.. currentmodule:: varipeps.mapping
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Mapping of other structures to PEPS unitcells (:mod:`varipeps.mapping`)
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florett_pentagon
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honeycomb
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kagome
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maple_leaf
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square_kagome

‎docs/source/api/mapping/kagome.rst

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.. currentmodule:: varipeps.mapping.kagome
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Mapping of Kagome structures (:mod:`varipeps.mapping.kagome`)
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.. automodule:: varipeps.mapping.kagome
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‎docs/source/api/mapping/maple_leaf.rst

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.. currentmodule:: varipeps.mapping.maple_leaf
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Mapping of Maple leaf structures (:mod:`varipeps.mapping.maple_leaf`)
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.. automodule:: varipeps.mapping.maple_leaf
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‎docs/source/api/mapping/square_kagome.rst

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.. currentmodule:: varipeps.mapping.square_kagome
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Mapping of Square-Kagome structures (:mod:`varipeps.mapping.square_kagome`)
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.. automodule:: varipeps.mapping.square_kagome
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‎docs/source/api/typing.rst

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.. currentmodule:: varipeps.typing
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Typing helper (:mod:`varipeps.typing`)
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