BiCrystal

In this mini-release, we add installation via poetry python and pyenv. The path requirement in bicrystal and program.py files has been discontinued. More functionality for building incommensurate structures is to be added soon!

BiCrystal

In this version, we have automated the selection of the rotation angle. User inputs m,n parameters and selects the intial atoms.

BiCrystal

BiCrystal is a Python program that builds commensurate and incommensurate crystal structures of layered materials. The current version reads CIF files and writes the new structure to a QUANTUM ESPRESSO input file.