tools

• information and analysis
  • espressopp.tools.analyse
  • espressopp.tools.info
  • espressopp.tools.timers
  • espressopp.tools.vmd
• initializing particles
  • espressopp.tools.lattice
  • espressopp.tools.replicate
  • espressopp.tools.topology
  • espressopp.tools.velocities
  • espressopp.tools.warmup
• decomp - Domain Decomposition python functions
• DumpConfigurations - read/write xyz files
• fastreadxyz()
• fastwritexyz()
• fastwritexyz_standard()
• readxyz()
• readxyzr()
• writexyz()
• xyzfilewrite()
• espresso_old - read espressomd files
• read()
• gromacs - parser for Gromacs files
• convertTable()
• read()
• setLennardJones14Interactions()
• setLennardJonesInteractions()
• setLennardJonesInteractionsTI()
• setTabulatedInteractions()
• io_extended - read/write configurational files
• lammps - read lammps files
• pathintegral - nuclear quantum effects
• PDB - read and write pdb format
  • espressopp.tools.pdbwrite()
  • espressopp.tools.pdbread()
• povwrite - write povray files
• prepareComplexMolecules - set up proteins
  • espressopp.tools.findConstrainedBonds()
  • espressopp.tools.getInternalNonbondedInteractions()
  • espressopp.tools.readSimpleSystem()
  • espressopp.tools.applyBoreschRestraints()
• prepareAdress - setup AdResS simulation
• PSF - read and write psf format
  • espressopp.tools.psfwrite()
  • espressopp.tools.psfread()
• tabulated - write tabulated file
• writeTabFile()
• topology_helper
• units - convert to real units