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Releases

v1.2.0 Latest

Latest

cheminfo-bot released this 25 Sep 09:17

d098446

1.2.0 (2026-09-25)

Features

expose the Slater basis so the orbitals can be drawn (8e5d9ee)

Assets 2

v1.1.0

cheminfo-bot released this 25 Sep 05:55

b8dac2c

1.1.0 (2026-09-24)

Features

run amides, molecules past 99 atoms, and taxol (659cfb1)

Bug Fixes

recover a degenerate eigenvector HQRII silently drops (6b7a61a)

Assets 2

v1.0.0

cheminfo-bot released this 24 Sep 15:24

785582c

1.0.0 (2026-09-24)

Features

MOPAC 7 in WebAssembly (2243230)

Assets 2