Suppose, I require simulation of adding 0 to 10% carbon in steel with 0.01% interval and heating from 300K to 1800K and again cool to 300K with specified cooing rate, and dump whole heat-cool-temperature-composition data in single file, and only want to dump configuration file before and after structure becomes BCC to FCC and vice-versa.
What are the possible loop and conditional statement. Please provide reference and page number of LAMMPS manual
- Badges
- Science topic
More Sumit Bhowmick's questions See All
Similar questions and discussions