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Releases: rappegroup/opium

Opium v4.1.0

26 Mar 19:44
ba2424b
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Changelog: 4.0 -> 4.1

04/10/18

  1. Add designed non-local transformation to PBE0 pseudopotentials generation

  2. Fix bugs for some convergence problems

Opium v4.0.0

26 Mar 19:53
v4.0.0
c81be50
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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.

Opium v3.8.0

26 Mar 19:59
v3.8.0
9393e72
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Changelog: 3.7 -> 3.8

  1. Restored the PCC version number for the recpot output.

  2. Added PCC for the QE upf output.

  3. Cleaned up a lot of the printing errors for the gfortran version.