v2021.05.19

• Generate STM images from figshare raw files
• Added image analysis for atomic angles
• Removed travis.yml because of timeout issue

v2021.05.16

• VASP XML DB maker update
• IR module update with LO/TO splitting
• Elemental OptB88vdW chemical potential update
• DFT 3Ddataset update

v2021.05.02

• Update Queue.slurm for incorporating GPUs

v2021.04.29

• Use non-canonize graphs

v2021.4.28

• Graph id_tag update
• Remove cif2cell hard dependency as it conflicts with conda-forge

v2021.4.21

• Graph module fix

v2021.4.19

• IR module update
• Graph bond angle cosine fix

v2021.4.18

• Nearest neighbor routine bug fix
• QM9 link update

v2021.4.10

• Graph angle,
• QE modules for post-processing xml,
• VASP outputs for convergence,
• VASPDB2XML file update,
• Digitize features,
• STEM image generation,
• Capability to work with fractional coordinates cif files,
• Reduced formula fix added

v2021.3.13

• Figshare megnet dataset added