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optimizations and version bump
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #61: Commit 6b8bb79 pushed by mkphuthi
distance arg in phonopy
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #60: Commit 7b1cc19 pushed by mkphuthi
minor aesthetic things, as_integers
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #59: Commit fdc231b pushed by mkphuthi
fairchem calc fix
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #58: Commit a7d648e pushed by mkphuthi
aqcat calculator
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #57: Commit c6bed38 pushed by mkphuthi
properties in collect
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #56: Commit be3f15f pushed by mkphuthi
aqcat, vasp optional run
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #54: Commit c198886 pushed by mkphuthi
lammps restart, image_array args
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #53: Commit c4df253 pushed by mkphuthi
vasp ibrion,fairchem calc
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #51: Commit 2ff2827 pushed by mkphuthi
get_atoms constraints, asim-check job_ids
Publish Python 🐍 distribution 📦 to PyPI and TestPyPI #50: Commit d15d3f4 pushed by mkphuthi