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Opium v4.0.0
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@aschankler aschankler released this 26 Mar 19:53
· 1 commit to main since this release
v4.0.0
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aschankler Aaron Schankler
GPG key ID: 8B3D0D9C8B97D6EC
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Learn about vigilant mode.
c81be50
This commit was signed with the committer’s verified signature.
aschankler Aaron Schankler
GPG key ID: 8B3D0D9C8B97D6EC
Verified
Learn about vigilant mode.

Changelog: 3.8 -> 4.0

  1. PBE0 density functional pseudopotentials can now be constructed, but only
    for non-relativistic atoms.

  2. Documentation is updated, including the undocumented computational flags
    usage

  3. HF pseudopotentials are available for Quantum ESPRESSO use.

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