diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 37cab18084..c1fe93b398 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -289,6 +289,11 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) for (unsigned int i = 0; i < 9; ++i) { getline(in, key); // skip header } + } else if (Core::contains(key, "CHELPG Charges")) { + // similar to standard charges + m_currentMode = Charges; + m_chargeType = "CHELPG"; + getline(in, key); // skip ------------ } else if (Core::contains(key, "ATOMIC CHARGES")) { m_currentMode = Charges; // figure out what type of charges we have