I am a new user of LAMMPS and facing a problem while taking the output of “fix indent” command. This command is calculating 2 things : Scalar “energy” and Vector “forces on the indenter”. But when I am using “fix ave/time” command for this then it is giving error. Part of input file using this is :
fix indenter all indent 1000 sphere 100 100 60 10.0 vel 0.0 0.0 -1.0 units box
fix_modify indenter energy yes
fix 9 all ave/time 1 100 1000 fix indenter value both file temp.indent
then I am getting the following error message :
ERROR: Illegal fix ave/time command
Also, if I remove the last part of the fix command, i.e. if I put the command as :
fix 9 all ave/time 1 100 1000 fix indenter
then I am getting the following error :
ERROR: Compute ID for fix ave/time does not exist
Does this mean that the fix indent command is not calculating the required quantities ?
Also, I have tried with following :
thermo_style custom step temp f_indenter f_indenter f_indenter
But I am also not clear regarding what is meaning of 100th vector quantity , 200th vector quantity and …
Please suggest how to get the required output : " ENERGY AND FORCES ON INDENTER ". Any suggestion regarding the same is heartily welcome.