
Atomsk/tools
============
 
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.
