ase==3.22.1
atomistics<=0.1.26,>=0.1.21
numpy<=1.26.4,>=1.26.0
pandas<=2.2.2,>=1.5.3
jinja2<=3.1.3,>=2.11.3
pylammpsmpi<=0.2.17,>=0.2.14
pympipool<=0.7.18,>=0.7.15
