Minor update.

CONTRIBUTING.rst

-.. highlight:: shell
-
 ============
 Contributing
 ============

README.md

@@ -44,7 +44,7 @@ included as features.
 
 - Only two PHREEQC keywords _Equilibrium_ and _Kinetics_ are
   implemented. Although it is straightforward to add additional features
-  with `mode = custom.
+  with `mode = custom`.
 - Databases can be constructed only for a very limited set of phases and
   sources. This option can be useful because a reduced database can
   reduce calculation time.
@@ -54,3 +54,11 @@ included as features.
 
 ## Credits
 
+## TODOs
+
+- [ ] Fit ML dynamically, if boundary is overstepped
+- [ ] Random full-coupling
+- [ ] Pickle last x simulations with Input-Output
+- [ ] Move features that do not work properly into dev
+- [ ] Sometime do unit tests: Check results with pre-calculated values.
+

TODO.md

-# PhreeqSim TODOs
-
-
-- [ ] Fit MLL dynamically, if boundary is overstepped
-- [ ] Random full-coupling
-- [ ] Pickle last x simulations with Input-Output
-- [ ] Move features that do not work properly into dev
-- [ ] Sometime do unit tests: Check results with pre-calculated values.

docs/readme.rst

-.. include:: ../README.rst
+.. include:: ../README.md

examples/_boilerplate.dat

@@ -19,7 +19,6 @@ phreeqsim.set_figure_params()
 ## configure notebook properties ##
 # pd.options.display.max_columns = None
 # pd.options.display.max_rows = None
-
 pd.set_option('display.float_format', '{:.12g}'.format)
 from IPython.display import display, HTML
 %matplotlib inline

pyproject.toml

@@ -3,7 +3,7 @@ name = "phreeqsim"
 version = "0.1.0"
 description = ""
 authors = ["Morgan Tranter <mtranter@gfz-potsdam.de>"]
-readme = "README.rst"
+readme = "README.md"
 repository = "https://git.gfz-potsdam.de/mtranter/phreeqsim"
 homepage = "https://git.gfz-potsdam.de/mtranter/phreeqsim"
 license = ""