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JOSS Paper (#61)
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* JOSS manuscript

* JOSS manuscript

* updated paper after comments from co-authors

* small paper fixes

* small fixes based on JOSS editor comments

* Fixes for JOSS manuscript (#57)

* fixes to manuscript text, added table with similar codes

* text fix

* Fixes author name

* Add bibentry for `Bell:Deiters:Leal:2022`

* Added TEQP as another code with purpose for thermo prop calculation

* Fixed alphabetical order (after adding TEQP)

* GEM-Selektor to codes with similar functionalities

Added GEM-Selektor to the list of codes with similar functionalities, fixed style in the paragraph above.

* Added paragraph under Features on automatic differentiation

* Added autodiff and Reaktoro bibentries

* Replaced Leal2016 by Leal:2015

Co-authored-by: Allan Leal <allanmulin@gmail.com>
Co-authored-by: Dimitri Kulik <52164624+dimitrikulik@users.noreply.github.com>

* shortened manuscript to aorund 1000 words per request of JOSS editor

* fix doi entries

* removed duplicate bib entry

* clarify application to equilibrium speciation

* added badge link to paper

---------

Co-authored-by: Allan Leal <allanmulin@gmail.com>
Co-authored-by: Dimitri Kulik <52164624+dimitrikulik@users.noreply.github.com>
Co-authored-by: Lucy Whalley <l.whalley@northumbria.ac.uk>
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23 changes: 23 additions & 0 deletions .github/workflows/draft-pdf.yml
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on: [push]

jobs:
paper:
runs-on: ubuntu-latest
name: Paper Draft
steps:
- name: Checkout
uses: actions/checkout@v2
- name: Build draft PDF
uses: openjournals/openjournals-draft-action@master
with:
journal: joss
# This should be the path to the paper within your repo.
paper-path: paper/paper.md
- name: Upload
uses: actions/upload-artifact@v1
with:
name: paper
# This is the output path where Pandoc will write the compiled
# PDF. Note, this should be the same directory as the input
# paper.md
path: paper/paper.pdf
5 changes: 4 additions & 1 deletion README.md
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Expand Up @@ -3,7 +3,10 @@ Linux, OSX, Windows

[![Build Status](https://dev.azure.com/mirondanro/thermohub/_apis/build/status/thermohub.thermofun?branchName=master)](https://dev.azure.com/mirondanro/thermohub/_build/latest?definitionId=9&branchName=master)

A code for calculating the standard state thermodynamic properties of substances and reactions at a given temperature and pressure.
A code for calculating the standard state thermodynamic properties of substances and reactions at a given temperature and pressure.

If you use it in your work please cite the JOSS publication
[![DOI](https://joss.theoj.org/papers/10.21105/joss.04624/status.svg)](https://doi.org/10.21105/joss.04624)

- [Code documentation](https://docs.hdoc.io/dmiron/thermofun/?target=_blank)
- [Simple C++ API example](#simple-c-api-example)
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