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The SpinParser software for pseudofermion functional renormalization group calculations on quantum magnets

by Finn Lasse Buessen

Submission summary

As Contributors: Finn Lasse Buessen
Preprint link: scipost_202202_00043v1
Code repository: https://github.com/fbuessen/SpinParser
Date accepted: 2022-03-23
Date submitted: 2022-02-22 19:42
Submitted by: Buessen, Finn Lasse
Submitted to: SciPost Physics Codebases
Academic field: Physics
Specialties:
  • Condensed Matter Physics - Computational
Approaches: Theoretical, Computational

Abstract

We present the SpinParser open-source software [ https://github.com/fbuessen/SpinParser ]. The software is designed to perform pseudofermion functional renormalization group (pf-FRG) calculations for frustrated quantum magnets in two and three spatial dimensions. It aims to make such calculations readily accessible without the need to write specialized program code; instead, custom lattice graphs and microscopic spin models can be defined as plain-text input files. Underlying symmetries of the model are automatically analyzed and exploited by the numerical core written in C++ in order to optimize the performance across large-scale shared memory and/or distributed memory computing platforms.

Current status:
Publication decision taken: accept

Editorial decision: For Journal SciPost Physics Codebases: Publish
(status: Editorial decision fixed and (if required) accepted by authors)



Author comments upon resubmission

Dear Editor,
I am resubmitting a revised version of the manuscript “The SpinParser software for pseudofermion functional renormalization group calculations on quantum magnets”. In this revised manuscript, I have made changes to address the referees’ comments and suggestions, which have led to a substantial improvement in the documentation of the software. Detailed responses to each referee report are provided separately via the “Reply to the above Report” functionality on the website.
An overview of all the changes in the updated manuscript and the codebase is provided below.

Sincerely,
Finn Lasse Buessen

List of changes

Changes to the manuscript:
- In Sec. 2 (“Scope of the software”) below Eq. (4) and in Sec. 5.4 (“Output data”), short remarks to clarify that spin operators are defined in the local reference frame were added. In Section 5.3 (“Definition of spin interactions”), a paragraph to clarify the definition of spin operators in their local frame of reference was added.
- In Sec. 5.1 (“Structure of a task file”), a paragraph to provide instructions for performing generalized spin-S calculations was added.

Changes to the codebase:
- A separate documentation for the Python tools for data postprocessing was added to the codebase and made available at [https://fbuessen.github.io/SpinParser/doc-python].
- In the “Evaluate SpinParser output and measurements” section of the README, an extra paragraph and example code were added to illustrate the calculation of correlation functions which may be relevant to neutron scattering experiments.
- In the “Prepare a task file” section of the README, a paragraph was added to provide instructions for generalized spin-S calculations.
- In the “Prepare a task file” section of the README, two short remarks were added to clarify the definition of spin operators in their local frame of reference.


Reports on this Submission

Report 2 by Johannes Hauschild on 2022-3-9 (Invited Report)

Report

I am satisfied with the changes made and recommend a publication in the current form.

  • validity: -
  • significance: -
  • originality: -
  • clarity: -
  • formatting: -
  • grammar: -

Anonymous Report 1 on 2022-3-3 (Invited Report)

Strengths

The revised software presents itself as an extremely versatile tool with wide applicability.

Weaknesses

None

Report

The author has put in considerable effort in thoroughly answering all the concerns I raised. I am satisfied with the responses and particularly happy with the changes made both to the manuscript and codebase. Hence, I now recommend its publication in SciPost.

Requested changes

None

  • validity: high
  • significance: high
  • originality: high
  • clarity: high
  • formatting: excellent
  • grammar: excellent

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