update setup

ICAMS · Jan 18, 2024 · f9f2203 · f9f2203
1 parent 6c313ae
commit f9f2203
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Showing 2 changed files with 3 additions and 2 deletions.
diff --git a/calphy/helpers.py b/calphy/helpers.py
@@ -338,7 +338,8 @@ def find_solid_fraction(file):
         sys.find.neighbors(
             method="cutoff", cutoff=5.0
         )  # Maybe add value as convergence param?
-    solids = sys.find.solids()
+    sys.find.solids()
+    solids = np.sum(sys.atoms.solid)
     return solids
 
 

diff --git a/setup.py b/setup.py
@@ -43,7 +43,7 @@
     description="free energy calculation for python",
     install_requires=['matplotlib', 'pytest',
     'pyyaml', 'mendeleev', 
-    'tqdm', 'scipy', 'pydantic', 'pyscal', 'pyscal3'],
+    'tqdm', 'scipy', 'pydantic', 'pyscal3'],
     license="GNU General Public License v3",
     long_description=readme,
     long_description_content_type='text/markdown',