adding Pair::single() support to python pair style and examples
with the single function, python pair styles can be massively sped up and made compatible to accelerators, as one can translate the analytic force and energy functions through LAMMPS into suitable tables and then simply use the on-the-fly tables for production runs
This commit is contained in:
9029
examples/python/data.spce
Normal file
9029
examples/python/data.spce
Normal file
File diff suppressed because it is too large
Load Diff
Reference in New Issue
Block a user