All modules for which code is available

  • qmmm_pme.calculators.calculator
  • qmmm_pme.calculators.qmmm_calculator
  • qmmm_pme.common.file_manager
  • qmmm_pme.common.utils
  • qmmm_pme.dynamics.dynamics
  • qmmm_pme.hamiltonians.hamiltonian
  • qmmm_pme.hamiltonians.mm_hamiltonian
  • qmmm_pme.hamiltonians.qm_hamiltonian
  • qmmm_pme.hamiltonians.qmmm_hamiltonian
  • qmmm_pme.integrators.integrator
  • qmmm_pme.integrators.langevin_integrator
  • qmmm_pme.integrators.velocity_verlet_integrator
  • qmmm_pme.integrators.verlet_integrator
  • qmmm_pme.interfaces.interface
  • qmmm_pme.interfaces.interface_manager
  • qmmm_pme.interfaces.openmm_interface
  • qmmm_pme.interfaces.pme_openmm_interface
  • qmmm_pme.interfaces.psi4_interface
  • qmmm_pme.plugins.atom_embedding.atom_embedding
  • qmmm_pme.plugins.plugin
  • qmmm_pme.plugins.pme.pme
  • qmmm_pme.plugins.pme.pme_utils
  • qmmm_pme.plugins.rigid.rigid
  • qmmm_pme.plugins.settle.settle
  • qmmm_pme.plugins.settle.settle_utils
  • qmmm_pme.records.files
  • qmmm_pme.records.record
  • qmmm_pme.records.state
  • qmmm_pme.records.topology
  • qmmm_pme.wrappers.logger
  • qmmm_pme.wrappers.simulation
  • qmmm_pme.wrappers.system

QM/MM/PME

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