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Searched refs:trajectoryFile (Results 1 – 2 of 2) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/programs/mdrun/tests/
H A Dtrajectoryreader.cpp119 t_trxstatus* trajectoryFile; in readNextFrame() local
121 nextFrameExists_ = read_first_frame(oenvGuard_.get(), &trajectoryFile, filename_.c_str(), in readNextFrame()
123 if (!trajectoryFile) in readNextFrame()
127 trajectoryFileGuard_.reset(trajectoryFile); in readNextFrame()
/dports/science/plumed/plumed2-2.7.2/src/cltools/
H A DDriver.cpp398 string trajectoryFile(""), pdbfile(""), mcfile(""); in main() local
419 trajectoryFile=traj_molfile; in main()
440 trajectoryFile=traj_xyz; in main()
444 trajectoryFile=traj_gro; in main()
448 trajectoryFile=traj_dlp4; in main()
452 trajectoryFile=traj_xtc; in main()
456 trajectoryFile=traj_trr; in main()
459 if(trajectoryFile.length()==0&&!parseOnly) { in main()
543 if (trajectoryFile=="-") in main()
565 xd=xdrfile_open(trajectoryFile.c_str(),"r"); in main()
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