toolsΒΆ
- information and analysis
- initializing particles
- decomp - Domain Decomposition python functions
- DumpConfigurations - read/write xyz files
- espresso_old - read espressomd files
- gromacs - parser for Gromacs files
- io_extended - read/write configurational files
- lammps - read lammps files
- pathintegral - nuclear quantum effects
- PDB - read and write pdb format
- povwrite - write povray files
- prepareComplexMolecules - set up proteins
- prepareAdress - setup AdResS simulation
- PSF - read and write psf format
- tabulated - write tabulated file
- topology_helper
- units - convert to real units