chemcoord

A python module for manipulating cartesian and internal coordinates.

Python★ 88

chemicalcheminformaticschemistryphysicsphysics-simulationpythonpython-librarytheoretical-spectroscopy

m@mcocdawc++

atomsk

Atomsk: A Tool For Manipulating And Converting Atomic Data Files -

Fortran★ 252

ab-initioatomeyeatomic-designatomistic-simulationscheminformaticscifcrystal-builderdislocation

p@pierrehirel++