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Releases: tuypoa/UnitCell4qe

v0.3

17 Mar 15:42
d26a816

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  • Fixed rotation algorithm
  • Tests in the direct generation of the .IN file

v0.2

23 Feb 19:48

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  • Templates inside the JAR
  • A single Arg, just the path of the PDB files

v0.1

18 Feb 21:15
6b8b1da

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v0.1 Pre-release
Pre-release

Initial release

  • Read Molegro .PDB file
  • Add unit cell with the smallest size
  • Reposition atoms inside the unit cell
  • Convert .PDB to .CIF to read in BURAI