From de5ee4a6f8ee47a55583a61d2ab7e1824fae7796 Mon Sep 17 00:00:00 2001 From: Geoff Hutchison Date: Sat, 28 Oct 2023 19:51:29 -0400 Subject: [PATCH] Fix compile error Signed-off-by: Geoff Hutchison --- avogadro/quantumio/orca.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/avogadro/quantumio/orca.cpp b/avogadro/quantumio/orca.cpp index 86db7e25b1..bc15cecc96 100644 --- a/avogadro/quantumio/orca.cpp +++ b/avogadro/quantumio/orca.cpp @@ -90,7 +90,7 @@ bool ORCAOutput::read(std::istream& in, Core::Molecule& molecule) // m_bondOrders[i][2] is the bond order if (m_bondOrders[i].size() > 2) molecule.addBond(m_bondOrders[i][0], m_bondOrders[i][1], - static_cast(m_bondOrders[i][2])); + static_cast(m_bondOrders[i][2])); } } @@ -286,7 +286,7 @@ void ORCAOutput::processLine(std::istream& in, GaussianSet* basis) break; m_bondOrders.clear(); - while (key[0] == "B") { + while (key[0] == 'B') { // @todo .. parse the bonds based on character position // e.g. B( 0-Ru, 1-C ) : 0.4881 B( 0-Ru, 4-C ) : 0.6050 getline(in, key);