tools
Folders and files
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These tools are provided with Atomsk. They perform simple operations on various files. They are provided as-is and without any warranty, check what they do before running them! cfg_setA.sh Modifies the value of factor A in Atomeye CFG files. dat_mulvec.sh Multiplies the columns 4-6 of a data file (*.dat) by a factor. dat_rm0.sh Removes lines from a data file (*.dat) if their columns 4-6 are zero. dat2csv.sh Converts a space-separated data file (*.dat) into a comma-separated data file (*.csv). lmp_atom2charge.sh Converts LAMMPS data files (*.lmp) for "atom_style charge". lmp_charge2atom.sh Converts LAMMPS data files (*.lmp) for "atom_style atomic". lmp_ortho2tri.sh Converts LAMMPS data files (*.lmp) into triclinic boxes. qepw_bohr.sh Converts Quantum Espresso Pwscf files (*.pw) in units of Bohr.