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Add molden as a possible reader for generic .out files
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ghutchis committed Oct 25, 2023
1 parent 301aa7d commit 96d9f53
Showing 1 changed file with 5 additions and 0 deletions.
5 changes: 5 additions & 0 deletions avogadro/quantumio/genericoutput.cpp
Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@
#include <avogadro/io/fileformatmanager.h>

#include "gamessus.h"
#include "molden.h"
#include "nwchemlog.h"
#include "orca.h"

Expand Down Expand Up @@ -50,6 +51,10 @@ bool GenericOutput::read(std::istream& in, Core::Molecule& molecule)
// GAMESS-US .. don't know if we can read Firefly or GAMESS-UK
reader = new GAMESSUSOutput;
break;
} else if (line.find("[Molden Format]") != std::string::npos) {
// molden with .out extension
reader = new MoldenFile;
break;
} else if (line.find("O R C A") != std::string::npos) {
// ORCA reader
reader = new ORCAOutput;
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