[WIP] Optical defects (#25)

* Harmonics * find localized states with ipr * ccd * major update to CCD test_files * pymatgen dep change * ignore vscode * waveder files * waveder files * waveder tests * optical * ediff spectra * ediff spectra * added band structure * added band structure * added added harmonic and optical defect harmonic and optical defect
materialsproject · Aug 30, 2022 · c66e165 · c66e165
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commit c66e165
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diff --git a/.gitignore b/.gitignore
@@ -135,3 +135,5 @@ dmypy.json
 
 docs_build
 examples/wip*
+
+.vscode
diff --git a/.vscode/settings.json b/.vscode/settings.json
@@ -1,7 +1,9 @@
 {
     "restructuredtext.confPath": "",
     "esbonio.sphinx.confDir": "",
-    "python.testing.pytestArgs": [],
+    "python.testing.pytestArgs": [
+        "tests"
+    ],
     "python.testing.unittestEnabled": false,
     "python.testing.pytestEnabled": true,
     "python.formatting.provider": "black"

diff --git a/dash_app/chempot_selection.py b/dash_app/chempot_selection.py
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Expand Up		@@ -135,3 +135,5 @@ dmypy.json

		docs_build
		examples/wip*

		.vscode