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Add xtbopt.log files (really XYZ) to the generic reader
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Signed-off-by: Geoff Hutchison <[email protected]>
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ghutchis committed Dec 30, 2024
1 parent d231082 commit c4fa738
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5 changes: 5 additions & 0 deletions avogadro/quantumio/genericoutput.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -7,6 +7,7 @@

#include <avogadro/io/fileformat.h>
#include <avogadro/io/fileformatmanager.h>
#include <avogadro/io/xyzformat.h>

#include "gamessus.h"
#include "molden.h"
Expand Down Expand Up @@ -59,6 +60,10 @@ bool GenericOutput::read(std::istream& in, Core::Molecule& molecule)
// ORCA reader
reader = new ORCAOutput;
break;
} else if (line.find("xtb:") != std::string::npos) {
// xtb reader
reader = new Io::XyzFormat;
break;
}
}

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ERROR: clang-format-diff detected formatting issues. See the artifact for a patch or run clang-format on your branch.

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