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v0.9.0 protected Release: Release v0.9.0
Version 0.9.0: introduce multi-determinantal wavefunction and real-space-function symmetry analysis, introduce representation projection decomposition
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v0.8.0 protected Release: Release v0.8.0
Version 0.8.0: improve handling of antiunitary symmery operations
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v0.7.1 protected Release: Release v0.7.1
Version 0.7.1: enhance user documentation for qsym2.dev, implement four-centre overlap integral calculation for Q-Chem HDF5, fix several bugs
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v0.7.0 protected Release: Release v0.7.0
Version 0.7.0: introduce density symmetry analysis driver, revamp molecule symmetrisation driver to use a bootstrapping algorithm, introduce user documentation for qsym2.dev
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v0.7.0-rc protected Release: Release v0.7.0-rc
Version 0.7.0-rc: introduce mirror parities, define python feature, introduce localised MO symmetry analysis and vibrational symmetry analysis for Q-Chem HDF5, add licensing information
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v0.7.0-beta protected Release: Release v0.7.0-beta
Version 0.7.0-beta: allow Python threads in driver runs in Python-exposed functions to avoid deadlocks, introduce axial vectors and add rotation function symmetries
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v0.7.0-alpha protected Release: Release v0.7.0-alpha
Version 0.7.0-alpha: introduce driver and Python binding for vibrational coordinate representation analysis, add print-outs of borderline orbit eigenvalues, add two modes of eigenvalue comparison
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v0.6.2 protected Release: Release v0.6.2
Version 0.6.2: bug fixes for symmetry detection of planar systems in magnetic fields and handling of electric fields in Python interface
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v0.6.0 protected Release: Release v0.6.0
Version 0.6.0: implement generic integrals and density symmetry analysis
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v0.5.0 protected Release: Release v0.5.0
Version 0.5.0: no OpenSSL dependency, rename aux module to auxiliary module
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v0.4.0 protected Release: Release v0.4.0
Version 0.4.0: custom PureOrder, CLI, Q-Chem-archive and binary-file Slater determinant inputs
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v0.3.2 protected Release: Release v0.3.2
Version 0.3.2: customisable ndalgebra-linalg backend, CI build wheel