Update src/streamlit_app.py

src/streamlit_app.py

@@ -34,7 +34,7 @@ os.environ["STREAMLIT_WATCHER_TYPE"] = "none"
 # Check if running on Streamlit Cloud vs locally
 is_streamlit_cloud = os.environ.get('STREAMLIT_RUNTIME_ENV') == 'cloud'
 MAX_ATOMS_CLOUD = 100  # Maximum atoms allowed on Streamlit Cloud
-MAX_ATOMS_CLOUD_UMA = 50
+MAX_ATOMS_CLOUD_UMA = 100
 
 # Set page configuration
 st.set_page_config(
@@ -271,7 +271,7 @@ task = st.sidebar.selectbox("Select Calculation Task:",
 # Optimization parameters
 if "Optimization" in task:
     st.sidebar.markdown("### Optimization Parameters")
-    max_steps = st.sidebar.slider("Maximum Steps:", min_value=10, max_value=25, value=15, step=1)
+    max_steps = st.sidebar.slider("Maximum Steps:", min_value=10, max_value=50, value=25, step=1)
     fmax = st.sidebar.slider("Convergence Threshold (eV/Å):", 
                             min_value=0.001, max_value=0.1, value=0.05, step=0.001, format="%.3f")
     optimizer = st.sidebar.selectbox("Optimizer:", ["BFGS", "LBFGS", "FIRE"], index=1)