.gitignore

# Created by https://www.toptal.com/developers/gitignore/api/python
# Edit at https://www.toptal.com/developers/gitignore?templates=python

### Python ###
# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class

# C extensions
*.so

# Distribution / packaging
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
share/python-wheels/
*.egg-info/
.installed.cfg
*.egg
MANIFEST

# PyInstaller
#  Usually these files are written by a python script from a template
#  before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec

# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
htmlcov/
.tox/
.nox/
.coverage
.coverage.*
.cache
nosetests.xml
coverage.xml
*.cover
*.py,cover
.hypothesis/
.pytest_cache/
cover/

# Translations
*.mo
*.pot

# Django stuff:
local_settings.py
db.sqlite3
db.sqlite3-journal

# Flask stuff:
instance/
.webassets-cache

# Scrapy stuff:
.scrapy

# Sphinx documentation
docs/_build/

# PyBuilder
.pybuilder/
target/

# Jupyter Notebook
.ipynb_checkpoints

# IPython
profile_default/
ipython_config.py

# pyenv
#   For a library or package, you might want to ignore these files since the code is
#   intended to run in multiple environments; otherwise, check them in:
# .python-version

# pipenv
#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
#   However, in case of collaboration, if having platform-specific dependencies or dependencies
#   having no cross-platform support, pipenv may install dependencies that don't work, or not
#   install all needed dependencies.
#Pipfile.lock

# poetry
#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
#   This is especially recommended for binary packages to ensure reproducibility, and is more
#   commonly ignored for libraries.
#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
#poetry.lock

# pdm
#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
#pdm.lock
#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
#   in version control.
#   https://pdm.fming.dev/#use-with-ide
.pdm.toml

# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
__pypackages__/

# Celery stuff
celerybeat-schedule
celerybeat.pid

# SageMath parsed files
*.sage.py

# Environments
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/

# Spyder project settings
.spyderproject
.spyproject

# Rope project settings
.ropeproject

# mkdocs documentation
/site

# mypy
.mypy_cache/
.dmypy.json
dmypy.json

# Pyre type checker
.pyre/

# pytype static type analyzer
.pytype/

# Cython debug symbols
cython_debug/

# PyCharm
#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
#  and can be added to the global gitignore or merged into this file.  For a more nuclear
#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
#.idea/

### Python Patch ###
# Poetry local configuration file - https://python-poetry.org/docs/configuration/#local-configuration
poetry.toml

# ruff
.ruff_cache/

# End of https://www.toptal.com/developers/gitignore/api/python
# Created by https://www.toptal.com/developers/gitignore/api/emacs
# Edit at https://www.toptal.com/developers/gitignore?templates=emacs

### Emacs ###
# -*- mode: gitignore; -*-
*~
\#*\#
/.emacs.desktop
/.emacs.desktop.lock
*.elc
auto-save-list
tramp
.\#*

# Org-mode
.org-id-locations
*_archive

# flymake-mode
*_flymake.*

# eshell files
/eshell/history
/eshell/lastdir

# elpa packages
/elpa/

# reftex files
*.rel

# AUCTeX auto folder
/auto/

# cask packages
.cask/
dist/

# Flycheck
flycheck_*.el

# server auth directory
/server/

# projectiles files
.projectile

# directory configuration
.dir-locals.el

# network security
/network-security.data


# End of https://www.toptal.com/developers/gitignore/api/emacs
# Created by https://www.toptal.com/developers/gitignore/api/macos
# Edit at https://www.toptal.com/developers/gitignore?templates=macos

### macOS ###
# General
.DS_Store
.AppleDouble
.LSOverride

# Icon must end with two \r
Icon


# Thumbnails
._*

# Files that might appear in the root of a volume
.DocumentRevisions-V100
.fseventsd
.Spotlight-V100
.TemporaryItems
.Trashes
.VolumeIcon.icns
.com.apple.timemachine.donotpresent

# Directories potentially created on remote AFP share
.AppleDB
.AppleDesktop
Network Trash Folder
Temporary Items
.apdisk

### macOS Patch ###
# iCloud generated files
*.icloud

# End of https://www.toptal.com/developers/gitignore/api/macos
# Created by https://www.toptal.com/developers/gitignore/api/linux
# Edit at https://www.toptal.com/developers/gitignore?templates=linux

### Linux ###
*~

# temporary files which can be created if a process still has a handle open of a deleted file
.fuse_hidden*

# KDE directory preferences
.directory

# Linux trash folder which might appear on any partition or disk
.Trash-*

# .nfs files are created when an open file is removed but is still being accessed
.nfs*

# End of https://www.toptal.com/developers/gitignore/api/linux
# Created by https://www.toptal.com/developers/gitignore/api/latex
# Edit at https://www.toptal.com/developers/gitignore?templates=latex

### LaTeX ###
## Core latex/pdflatex auxiliary files:
*.aux
*.lof
*.lot
*.fls
*.toc
*.fmt
*.fot
*.cb
*.cb2
.*.lb

## Intermediate documents:
*.dvi
*.xdv
*-converted-to.*
# these rules might exclude image files for figures etc.
# *.ps
# *.eps
# *.pdf

## Generated if empty string is given at "Please type another file name for output:"
.pdf

## Bibliography auxiliary files (bibtex/biblatex/biber):
*.bbl
*.bcf
*.blg
*-blx.aux
*-blx.bib
*.run.xml

## Build tool auxiliary files:
*.fdb_latexmk
*.synctex
*.synctex(busy)
*.synctex.gz
*.synctex.gz(busy)
*.pdfsync

## Build tool directories for auxiliary files
# latexrun
latex.out/

## Auxiliary and intermediate files from other packages:
# algorithms
*.alg
*.loa

# achemso
acs-*.bib

# amsthm
*.thm

# beamer
*.nav
*.pre
*.snm
*.vrb

# changes
*.soc

# comment
*.cut

# cprotect
*.cpt

# elsarticle (documentclass of Elsevier journals)
*.spl

# endnotes
*.ent

# fixme
*.lox

# feynmf/feynmp
*.mf
*.mp
*.t[1-9]
*.t[1-9][0-9]
*.tfm

#(r)(e)ledmac/(r)(e)ledpar
*.end
*.?end
*.[1-9]
*.[1-9][0-9]
*.[1-9][0-9][0-9]
*.[1-9]R
*.[1-9][0-9]R
*.[1-9][0-9][0-9]R
*.eledsec[1-9]
*.eledsec[1-9]R
*.eledsec[1-9][0-9]
*.eledsec[1-9][0-9]R
*.eledsec[1-9][0-9][0-9]
*.eledsec[1-9][0-9][0-9]R

# glossaries
*.acn
*.acr
*.glg
*.glo
*.gls
*.glsdefs
*.lzo
*.lzs
*.slg
*.slo
*.sls

# uncomment this for glossaries-extra (will ignore makeindex's style files!)
# *.ist

# gnuplot
*.gnuplot
*.table

# gnuplottex
*-gnuplottex-*

# gregoriotex
*.gaux
*.glog
*.gtex

# htlatex
*.4ct
*.4tc
*.idv
*.lg
*.trc
*.xref

# hyperref
*.brf

# knitr
*-concordance.tex
# TODO Uncomment the next line if you use knitr and want to ignore its generated tikz files
# *.tikz
*-tikzDictionary

# listings
*.lol

# luatexja-ruby
*.ltjruby

# makeidx
*.idx
*.ilg
*.ind

# minitoc
*.maf
*.mlf
*.mlt
*.mtc[0-9]*
*.slf[0-9]*
*.slt[0-9]*
*.stc[0-9]*

# minted
_minted*
*.pyg

# morewrites
*.mw

# newpax
*.newpax

# nomencl
*.nlg
*.nlo
*.nls

# pax
*.pax

# pdfpcnotes
*.pdfpc

# sagetex
*.sagetex.sage
*.sagetex.py
*.sagetex.scmd

# scrwfile
*.wrt

# svg
svg-inkscape/

# sympy
*.sout
*.sympy
sympy-plots-for-*.tex/

# pdfcomment
*.upa
*.upb

# pythontex
*.pytxcode
pythontex-files-*/

# tcolorbox
*.listing

# thmtools
*.loe

# TikZ & PGF
*.dpth
*.md5
*.auxlock

# titletoc
*.ptc

# todonotes
*.tdo

# vhistory
*.hst
*.ver

# easy-todo
*.lod

# xcolor
*.xcp

# xmpincl
*.xmpi

# xindy
*.xdy

# xypic precompiled matrices and outlines
*.xyc
*.xyd

# endfloat
*.ttt
*.fff

# Latexian
TSWLatexianTemp*

## Editors:
# WinEdt
*.bak
*.sav

# Texpad
.texpadtmp

# LyX
*.lyx~

# Kile
*.backup

# gummi
.*.swp

# KBibTeX
*~[0-9]*

# TeXnicCenter
*.tps

# auto folder when using emacs and auctex
./auto/*
*.el

# expex forward references with \gathertags
*-tags.tex

# standalone packages
*.sta

# Makeindex log files
*.lpz

# xwatermark package
*.xwm

# REVTeX puts footnotes in the bibliography by default, unless the nofootinbib
# option is specified. Footnotes are the stored in a file with suffix Notes.bib.
# Uncomment the next line to have this generated file ignored.
#*Notes.bib

### LaTeX Patch ###
# LIPIcs / OASIcs
*.vtc

# glossaries
*.glstex

# End of https://www.toptal.com/developers/gitignore/api/latex
# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class

# C extensions
*.so

# Distribution / packaging
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
share/python-wheels/
*.egg-info/
.installed.cfg
*.egg
MANIFEST

# PyInstaller
#  Usually these files are written by a python script from a template
#  before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec

# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
htmlcov/
.tox/
.nox/
.coverage
.coverage.*
.cache
nosetests.xml
coverage.xml
*.cover
*.py,cover
.hypothesis/
.pytest_cache/
cover/

# Translations
*.mo
*.pot

# Django stuff:
local_settings.py
db.sqlite3
db.sqlite3-journal

# Flask stuff:
instance/
.webassets-cache

# Scrapy stuff:
.scrapy

# Sphinx documentation
docs/_build/

# PyBuilder
.pybuilder/
target/

# Jupyter Notebook
.ipynb_checkpoints

# IPython
profile_default/
ipython_config.py

# pyenv
#   For a library or package, you might want to ignore these files since the code is
#   intended to run in multiple environments; otherwise, check them in:
# .python-version

# pipenv
#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
#   However, in case of collaboration, if having platform-specific dependencies or dependencies
#   having no cross-platform support, pipenv may install dependencies that don't work, or not
#   install all needed dependencies.
#Pipfile.lock

# poetry
#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
#   This is especially recommended for binary packages to ensure reproducibility, and is more
#   commonly ignored for libraries.
#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
#poetry.lock

# pdm
#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
#pdm.lock
#   pdm stores project-wide configurations in .pdm.toml, but it is recommended to not include it
#   in version control.
#   https://pdm.fming.dev/#use-with-ide
.pdm.toml

# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
__pypackages__/

# Celery stuff
celerybeat-schedule
celerybeat.pid

# SageMath parsed files
*.sage.py

# Environments
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/

# Spyder project settings
.spyderproject
.spyproject

# Rope project settings
.ropeproject

# mkdocs documentation
/site

# mypy
.mypy_cache/
.dmypy.json
dmypy.json

# Pyre type checker
.pyre/

# pytype static type analyzer
.pytype/

# Cython debug symbols
cython_debug/

# PyCharm
#  JetBrains specific template is maintained in a separate JetBrains.gitignore that can
#  be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
#  and can be added to the global gitignore or merged into this file.  For a more nuclear
#  option (not recommended) you can uncomment the following to ignore the entire idea folder.
#.idea/

parameters.json
*.lcov
coverage.json
/badges/
**/psp/*.psp8
**/psp/*.psp
**/psp/*.pot
/sparc_core.py
/archive/
/badge.svg
/coverage.svg
/pylint.svg
Untitled*
/run_*/
ex0-*/
al-eos-sparc.traj
*/ex1-sparc/
examples/ex1-ase/
/SPARC-master/
/master.zip
/*.ion
/*.static
/*.out*
/*.static*
/*.inpt*
/*.log
/*.psp8
/test-1/
/test-2/
*.pt
/README.html
/paper/paper.pdf
/paper/jats/
/doc/_build/
/doc/api/
/paper/paper.tex
/paper/paper.out
/paper/paper.log
/paper/TT-JOSS-arxiv-submission/