atomistics.calculators.lammps.libcalculator
===========================================

.. automodule:: atomistics.calculators.lammps.libcalculator

   
   
   

   
   
   .. rubric:: Functions

   .. autosummary::
      :toctree:
   
      calc_molecular_dynamics_langevin_with_lammpslib
      calc_molecular_dynamics_nph_with_lammpslib
      calc_molecular_dynamics_npt_with_lammpslib
      calc_molecular_dynamics_nvt_with_lammpslib
      calc_molecular_dynamics_thermal_expansion_with_lammpslib
      calc_static_with_lammpslib
      evaluate_with_lammpslib
      optimize_positions_and_volume_with_lammpslib
      optimize_positions_with_lammpslib