Update src/Home.py

src/Home.py

@@ -64,6 +64,15 @@ def embed_video():
 set_css()
 embed_video()
 
+# Set page configuration
+# st.set_page_config(
+#     page_title='PyFock GUI - Interactive DFT Calculations',
+#     layout='wide',
+#     page_icon="⚛️",
+#     menu_items={
+#         'About': "PyFock GUI - A web interface for PyFock, a pure Python DFT code with Numba JIT acceleration"
+#     }
+# )
 
 # Sidebar with enhanced styling
 st.sidebar.image("https://raw.githubusercontent.com/manassharma07/PyFock/main/logo_crysx_pyfock.png", use_container_width=True)
@@ -95,6 +104,7 @@ st.sidebar.markdown("""
 * Compare with PySCF
 * Download cube files & scripts
 * Interactive 3D visualization
+* Calculate molecular integrals
 * No installation required!
 """)
 
@@ -108,7 +118,7 @@ st.sidebar.markdown("""
 [![PyPI](https://img.shields.io/badge/PyPI-Package-orange?logo=pypi)](https://pypi.org/project/pyfock/)
 [![Docs](https://img.shields.io/badge/Documentation-Read-green?logo=readthedocs)](https://pyfock-docs.bragitoff.com)
 
-📄 **Paper:** [arXiv preprint](https://arxiv.org) *(coming soon)*
+📄 **Article:** *(coming soon)*
 
 👨‍💻 **Developer:** [Manas Sharma](https://www.linkedin.com/in/manassharma07)
 
@@ -498,7 +508,7 @@ with col1:
     
     max_iterations = st.number_input("Max Iterations:", min_value=1, max_value=16, value=14)
     conv_crit = st.number_input("Convergence Criterion:", min_value=1e-7, max_value=1e-3, value=1e-6, format="%.1e")
-    ncores = 2#st.number_input("Number of Cores:", min_value=1, max_value=8, value=4)
+    ncores = 1#st.number_input("Number of Cores:", min_value=1, max_value=8, value=4)
     use_pyscf_grids = st.checkbox("Use PySCF Grids for XC Term", value=True, help="Use either PySCF grids or PyFock grids for DFT calculaiton. Using PySCF grids is recommended as those are relatively smaller. NOTE: This does not perform a PySCF DFT calculation, only grid generation.") 
     compare_pyscf = st.checkbox("Compare energy with PySCF (will take longer)", value=False, help="Runs a KS-DFT calculation using same settings in PySCF for energy comparison.")
 
@@ -509,7 +519,7 @@ st.header("2. Cube Generation and Visualization Settings")
 col3, col4, col5 = st.columns(3)
 
 with col3:
-    cube_resolution = st.slider("Cube File Resolution (nx=ny=nz):", 30, 70, 40)
+    cube_resolution = st.slider("Cube File Resolution (nx=ny=nz):", 30, 50, 40)
 with col4:
     isovalue = st.number_input("Isovalue:", 0.0, 1.0, value=0.05, step=0.001, format="%.6f")
 with col5: