DOC: JOSS submission and updated documentation

.github/workflows/draft-pdf.yml

@@ -0,0 +1,23 @@
+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

.gitignore

@@ -1,4 +1,4 @@
-.gitignore
+venv/
 .idea
 
 # Meson files

AUTHORS

@@ -5,15 +5,19 @@ James Brixey (Warwick U.) <[email protected]>
 James Brixey (Warwick U.) <[email protected]>
 Adrien Gola (KIT) <[email protected]>
 Adrien Gola (KIT) <[email protected]>
+Adrien Gola (KIT) <[email protected]>
 Jacek Golebiowski (Imperial College London) <[email protected]>
 Jacek Golebiowski (Imperial College London) <[email protected]>
+Jacek Golebiowski (Imperial College London) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
 Jan Griesser (U. Freiburg) <[email protected]>
+Jan Griesser (U. Freibirg) <[email protected]>
 Petr Grigorev (Warwick U.) <[email protected]>
+Jan Griesser (U. Freiburg) <[email protected]>
 Johannes Hoermann (U. Freiburg) <[email protected]>
 Richard Jana (KIT & U. Freiburg) <[email protected]>
 Till Junge (EPFL) <[email protected]>
@@ -31,3 +35,4 @@ Punit Patel (Warwick U.) <[email protected]>
 Thomas Reichenbach (Fraunhofer IWM) <[email protected]>
 Lucas Frérot (U. Freiburg) <[email protected]>
 Lucas Frérot (U. Freiburg) <[email protected]>
+Zhilin Zheng <[email protected]>

docs/.gitignore

@@ -0,0 +1,2 @@
+generated/*
+*.cfg

docs/api.rst

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+API Reference
+=============
+
+Application domains API
+-----------------------
+
+.. autosummary::
+   :toctree: generated
+   :recursive:
+
+   matscipy.elasticity
+   matscipy.dislocation
+   matscipy.fracture_mechanics
+
+
+Calculators
+-----------
+
+.. autosummary::
+   :toctree: generated
+   :recursive:
+
+   matscipy.calculators.calculator
+   matscipy.calculators.pair_potential.PairPotential
+   matscipy.calculators.polydisperse.Polydisperse
+   matscipy.calculators.mcfm.MultiClusterForceMixingPotential
+   matscipy.calculators.eam.EAM
+   matscipy.calculators.ewald.Ewald
+   matscipy.calculators.manybody.Manybody
+
+Analysis tools
+--------------
+
+.. autosummary::
+   :toctree: generated
+   :recursive:
+
+   matscipy.neighbours
+   matscipy.numerical

docs/api/pressurecoupling.rst

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+Pressure coupling
+----------
+
+.. automodule:: matscipy.pressurecoupling