EStA subfolders

EStA contains various software preprocessing and postprocessing routines to make
tasks easily and automated to some extents.

The main class is `aadhaar` class to handle atomic structure information i.e. atomic positions, atomic
symbols, cell parameters. It can handle both molecules and periodic systems. Molecules are handled
using xyz file format and periodic systems are handled using POSCAR file format. These formats can
be further suited to other file format,

Various Bags are present in the EStA folder to handle software specific data such as `vaspBag`, `qeBag`,
`siestaBag`, `grrmBag`, `xtbBag`, and so on.

Thermodynamics can be calculated based on the vibrational calculation implemented in the `qeBag`. Similarly
transition state analysis is possible using routines in the `transitionState`.

There are lots of routines some written in fortran to be interfaced with `EStA` package. Machine learning
algorithms are also implemented such as GPR based on gaussian processes in the `mlBag`.

Important

Try to excess the aadhaar class in the general directory and then you can access atomic and poscar atoms informations. Also in vaspBag.inout, try to access the crystal lattice class for poscar file.