3.13. Minimization styles — LAMMPS documentation

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# 3.13. Minimization styles

Classes that perform energy minimization derived from the Min class. New styles can be created to add new minimization algorithms to LAMMPS.

Min_cg.cpp is an example of conjugate gradient minimization.

Here is a brief description of methods you define in your new derived class. See min.h for details.

init | initialize the minimization before a run
run | perform the minimization
memory_usage | tally of memory usage