You need python, matplotlib, scipy (Under Ubuntu: sudo apt install python-matplotlib; sudo apt install python-scipy)

Need to set in your ~/.bashrc the DIRPYCUBESCD variable

DIRPYCUBESCD=......../pycubescd [for example /home/diego/pycubescd] export PYTHONPATH=$PYTHONPATH:$DIRPYCUBESCD:$DIRPYCUBESCD/modules

CD code and related cubes module to compile it: python -m compileall pyCD.py

pycd.py: Produce a CD curve using a single cube file

pybader.py: Used to evaluate the partial integral of an integrand in cube format on a Bader's volume mapped on cube.

pycdfrags.py: Produce a CD curve using three cubes the two fragments and the total molecule

pycdexct.py: can be used for instance in the case of excited states

pydt.py: Generalized the idea of the isodensity: spatial grid is assegned tyo fragment 1 or 2 depending on their relative density value. Density based descriptors for the CT and polarization effects associated with the interaction between two fragments and the formation of the chemical bond are reported.

pydens_iso.py:

py_spherical.py: Generalized the idea of the isodensity: spatial grid is assegned tyo fragment 1 or 2 depending on their relative density value.

pyadd_cube.py : simple tool to add two cubes

pysub_cube.py : simple tool to subtract two cubes

py_central.py : integrate the difference using a sphere or a semi-sphere or even a cone

py_sphere.py : integrate a cube using a sphere or a semi-sphere or even a cone similar to py_central.py but using a single cube