irradiapy.lammps package

Subpackages

• irradiapy.lammps.commands package
  • Submodules
    • irradiapy.lammps.commands.atom_modify module
      • AtomModify
    • irradiapy.lammps.commands.atom_style module
      • AtomStyle
    • irradiapy.lammps.commands.boundary module
      • Boundary
    • irradiapy.lammps.commands.cmonitor_borders module
      • CMonitorBorders
    • irradiapy.lammps.commands.comm_modify module
      • CommModify
    • irradiapy.lammps.commands.command module
      • Command
    • irradiapy.lammps.commands.compute module
      • Compute
    • irradiapy.lammps.commands.compute_modify module
      • ComputeModify
    • irradiapy.lammps.commands.crdf module
      • CRDF
    • irradiapy.lammps.commands.create_atoms module
      • CreateAtoms
    • irradiapy.lammps.commands.create_box module
      • CreateBox
    • irradiapy.lammps.commands.cruntime module
      • CRunTime
    • irradiapy.lammps.commands.dump module
      • Dump
    • irradiapy.lammps.commands.dump_modify module
      • DumpModify
    • irradiapy.lammps.commands.echo module
      • Echo
    • irradiapy.lammps.commands.fix module
      • Fix
    • irradiapy.lammps.commands.fix_modify module
      • FixModify
    • irradiapy.lammps.commands.group module
      • Group
    • irradiapy.lammps.commands.lattice module
      • Lattice
    • irradiapy.lammps.commands.log module
      • Log
    • irradiapy.lammps.commands.mboost_ion module
      • MBoostIon
    • irradiapy.lammps.commands.pair_coeff module
      • PairCoeff
    • irradiapy.lammps.commands.pair_style module
      • PairStyle
    • irradiapy.lammps.commands.print module
      • Print
    • irradiapy.lammps.commands.read_data module
      • ReadData
    • irradiapy.lammps.commands.read_restart module
      • ReadRestart
    • irradiapy.lammps.commands.region module
      • Region
    • irradiapy.lammps.commands.reset_timestep module
      • ResetTimestep
    • irradiapy.lammps.commands.run module
      • Run
    • irradiapy.lammps.commands.thermo module
      • Thermo
    • irradiapy.lammps.commands.thermo_modify module
      • ThermoModify
    • irradiapy.lammps.commands.thermo_style module
      • ThermoStyle
    • irradiapy.lammps.commands.timer module
      • Timer
    • irradiapy.lammps.commands.uncompute module
      • Uncompute
    • irradiapy.lammps.commands.undump module
      • Undump
    • irradiapy.lammps.commands.unfix module
      • Unfix
    • irradiapy.lammps.commands.units module
      • Units
    • irradiapy.lammps.commands.variable module
      • Variable
    • irradiapy.lammps.commands.velocity module
      • Velocity
    • irradiapy.lammps.commands.write_data module
      • WriteData
    • irradiapy.lammps.commands.write_dump module
      • WriteDump
    • irradiapy.lammps.commands.write_restart module
      • WriteRestart
  • Module contents

Submodules

• irradiapy.lammps.cascade module
  • Cascade
    • Cascade.cmds_ions_grouping
    • Cascade.ion_energy
    • Cascade.pka_target
    • Cascade.run()
• irradiapy.lammps.cascadebase module
  • CascadeBase
    • CascadeBase.atomic_symbols
    • CascadeBase.cmds_cascade
    • CascadeBase.cmds_preamble
    • CascadeBase.cmds_rerun
    • CascadeBase.cmds_therma
    • CascadeBase.comm
    • CascadeBase.dir_parent
    • CascadeBase.exec_cmds()
    • CascadeBase.finalize
    • CascadeBase.get_pka_properties()
    • CascadeBase.get_pkas_properties()
    • CascadeBase.get_simulation_dirs()
    • CascadeBase.nsims
    • CascadeBase.path_log_cwd
    • CascadeBase.rank
    • CascadeBase.run()
    • CascadeBase.seed
    • CascadeBase.skip
    • CascadeBase.types_to_atomic_numbers()
    • CascadeBase.uttm_c
    • CascadeBase.uttm_extent
    • CascadeBase.uttm_k
    • CascadeBase.uttm_nxyz
    • CascadeBase.uttm_temperature
• irradiapy.lammps.utils module
  • LAMMPSUnavailableError
  • get_properties_from_group()
  • load_lammps_class()

Module contents

This subpackage provides a Python interface for LAMMPS for simulating collisional cascades.