v2021.08.05

• hMOF, jqe_tb3, jff database added
• LAMMPS parse_folder update
• Elastic tensor list update

v2021.07.19

• Added magpie.json

v2021.07.18

• Surface builder update
• Chemical only magpie descriptors added
• pdb_core dataset added
• zeopp tempfile bugfix.
• removed test_figshare.py from pytest because of Error 137 in action
• Do not use dft_3d for pytests because of memory issues

v2021.07.10

• Added more tutorials and docs
• Added pytraj module
• Added HPOV and PDBBind database

v2021.07.05

• Composition bug fix
• Elemental descript added

v2021.07.04

• New datasets added: C2DB, COD, QM9_JCTC, QMOF
• Added zeo++ module interface
• Update STM DPI setting
• Readthdocs docstring update in Atoms class

v2021.06.18

• Added QuantumCircuitLibrary
• Multi-output graph batching
• New datasets: electron and phonon DOS, QMOF, OMDB, C2DB
• Fixed bug in CHGCAR reader, and added interpolation feature

v2021.05.31

• Find 2D lattice module
• Image augmentation update
• STM angle fix with figure size

v2021.05.28

• STM skew angle update
• QE DataFileSchema and ProjXML update for DB
• Tight-binding DOS update
• Raman intensity from activity module added

v2021.05.25

• Update QE outputs, dataschema and projham.xml
• Use sphinx-autoapi for docs