Merge pull request #1906 from ghutchis/xtb-log-file

Add xtbopt.log files (really XYZ) to the generic reader
OpenChemistry · Dec 30, 2024 · 6793da4 · 6793da4
2 parents 18f9fa6 + c4fa738
commit 6793da4
Showing 1 changed file with 5 additions and 0 deletions.
diff --git a/avogadro/quantumio/genericoutput.cpp b/avogadro/quantumio/genericoutput.cpp
@@ -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"
@@ -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;
     }
   }