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Added description of Surface charge SCI-1315
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scripts/surface_charge/surface_charge_calculator.py

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@@ -117,7 +117,7 @@ def generate_html_table(self):
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<th>hkl</th>
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<th>Offset</th>
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<th>Projected Area</th>
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<th>Surface Charge</th>
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<th>Surface Charge*</th>
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<th>Surface Charge per Projected Area</th>
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</tr>
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"""
@@ -138,6 +138,7 @@ def generate_html_table(self):
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# HTML Table Footer
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html += """
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</table>
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<p><i> *-Surface charge is based on gasteiger partial charges <a href="https://www.sciencedirect.com/science/article/pii/S0040403901949779?via%3Dihub">10.1016/S0040-4039(01)94977-9</a></i> </p>
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</body>
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</html>
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"""

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