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Thomas3RCopilot
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Update src/dftd_eeq.cpp
Co-authored-by: Copilot <175728472+Copilot@users.noreply.github.com>
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src/dftd_eeq.cpp

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@@ -950,6 +950,7 @@ int EEQBCModel::get_xvec_derivs(
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// calculate derivative of the capacitance
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info = get_dcmatdr(mol, realIdx, dist, dcmatdr);
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if (info != EXIT_SUCCESS) return info;
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// get local charge
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bool lgrad = true; // calculate dqlocdr

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