pkg/

directory
v1.0.4 Latest Latest
Warning

This package is not in the latest version of its module.

Go to latest
Published: Mar 27, 2020 License: MIT

Directories

Path Synopsis
Package cfg dispatches several calculations.
Package cfg dispatches several calculations.
Package disttwoatoms calculates the distance between two atoms over time.
Package disttwoatoms calculates the distance between two atoms over time.
Package gr calculates the radial distribution function and its integral.
Package gr calculates the radial distribution function and its integral.
Package nopbc converts a lammps trajectory file where the atoms follow the periodic boundary conditions into a file where the periodic boundary conditions no longer exists.
Package nopbc converts a lammps trajectory file where the atoms follow the periodic boundary conditions into a file where the periodic boundary conditions no longer exists.
Package radiusgyration calculates the radius of gyration of a molecule.
Package radiusgyration calculates the radius of gyration of a molecule.
Package util contains some methods that can be used by every other package.
Package util contains some methods that can be used by every other package.
Package volume calculates the volume of a molecule in a solvent.
Package volume calculates the volume of a molecule in a solvent.

Jump to

Keyboard shortcuts

? : This menu
/ : Search site
f or F : Jump to
y or Y : Canonical URL