LAMMPS LATTICE DYNAMICS COMMANDS
THIRD ORDER TENSOR CALCULATOR
This directory contains the ingredients to calculate a third order tensor.
Example:
$THIRD_ORDER=third_order #tensor output file
NP=4 #number of processors
mpirun -np $NP lmp_mpi < in.silicon > out.silicon
combine.sh third_order
To test out a different silicon example:
$THIRD_ORDER=third_order
$LMP_FILE=amorphous_silicon.lmp
cp lmp_bank/$LMP_FILE ./silicon_input_file.lmp
NP=4 #number of processors
mpirun -np $NP lmp_mpi < in.silicon > out.silicon
bash combine.sh $THIRD_ORDER