narupa.ase package

Interface between Narupa and ASE.

Subpackages

• narupa.ase.openmm package
  • Submodules
    • narupa.ase.openmm.calculator module
    • narupa.ase.openmm.cli module
    • narupa.ase.openmm.runner module

Submodules

• narupa.ase.converter module
• narupa.ase.frame_adaptor module
• narupa.ase.imd module
• narupa.ase.imd_calculator module
• narupa.ase.null_calculator module
• narupa.ase.trajectory_logger module
• narupa.ase.wall_constraint module