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5 contributors

History: 36 commits

Yuan (Cyrus) Chiang

Add plots, tex files, and missing MOF structure (#60)

79edee4 unverified about 14 hours ago

test_app.py

788 Bytes

Major cleanup (#51) 3 months ago
test_elasticity.py

1.27 kB

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47) 4 months ago
test_eos.py

1.89 kB

Enforce copying atoms and refactor calculator instantiation to allow custom calculator (#47) 4 months ago
test_external_calculators.py

1.48 kB

Add plots, tex files, and missing MOF structure (#60) about 14 hours ago
test_internal_calculators.py

1.2 kB

Add convenient ZBL torch calculator (#44) 4 months ago
test_md.py

752 Bytes

Fix MD kwargs (#52) 2 months ago
test_mof.py

1.36 kB

Add Widom insertion (#34) about 1 month ago
test_neb.py

1.22 kB

Add Widom insertion (#34) about 1 month ago