-options <file>
This option allows to read a list of options from a file.
The <file> is a text file that must contain keywords followed by appropriate values. Each keyword must be a valid option and must be followed by its parameters, as it would be in a command-line.
The options read from the <file> substitute the call to the option -options
.
The option -options
itself cannot be used in the <file>, and will be ignored if it is. In other words this option cannot be used recursively. However the option -options
can be called several times in the same command-line.
By default no option is read from any file.
# This is just a comment
# Re-orient the cell
-orient [110] [1-10] [001] [100] [010] [001]
# Replace atom types by actual species
-sub 1 Si
-sub 2 C
atomsk SiC_relaxed.lmc -options my_options.txt xsf
This will read the LAMMPS output file SiC_relaxed.lmc
, apply the options that are described in the file my_options.txt
, and write the final result to SiC_relaxed.xsf
.
atomsk initial.cfg -duplicate 3 3 2 -options my_options.txt -alignx -wrap final.xsf
This will read the file initial.cfg
, duplicate the system 3x3x2, then will apply the options described in my_options.txt
, then will apply the options -alignx
and -wrap
, and finally will write the result in final.xsf
.