Merge pull request #118 from mkphuthi/mkphuthi/adsorption_calc

Add `AdsorptionCalc` Class for Adsorption Energy Calculation

Author: shyuep

pyproject.toml

@@ -206,7 +206,7 @@ module = ["requests.*", "tabulate.*"]
 ignore_missing_imports = true
 
 [tool.codespell]
-ignore-words-list = "mater,te,nd,Commun"
+ignore-words-list = "mater,te,nd,Commun,ontop"
 check-filenames = true
 
 [tool.coverage.run]

src/matcalc/__init__.py

@@ -9,6 +9,7 @@
 except PackageNotFoundError:
     pass  # package not installed
 
+from ._adsorption import AdsorptionCalc
 from ._base import ChainedCalc, PropCalc
 from ._elasticity import ElasticityCalc
 from ._eos import EOSCalc