Castor

Python package for various MD/DFT related tools.

getfreq.py Calculate frequencies from the hessian matrix of a VASP OUTCAR and recalculate these frequencies for different atom masses.

mirror.py Quick way to make symmetric VASP POSCARs by mirroring top2bottom or vice-versa.

rdfgen.py Get a radial distribution function from an .xyz trajectory/frame.

relabel.py Change atom order in VASP POSCAR corresponding to reference POSCAR.

rotate.py Rotate atoms in a VASP POSCAR around an arbitrary axis.

structuregen.py Quick way to create primitive cells of bulk metal.

translate.py Quick way to shift unitcell boundaries in 'a' and 'b' directions for a periodic slab.