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Exckel 0.1.0.0

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@sheepforce sheepforce released this 12 Feb 09:15

First stable release of Exckel. Statically linked Linux binary, built on openSUSE Leap 15 and requires only fundamental C libraries at run time.

Calculation type:

  • Gaussian (requires #p)
    • TDDFT/CIS (closed shell, open shell)

Cube calculation:

  • MultiWFN (3.4.1 up to 3.6 tested)

Cube visualisation:

  • VMD (1.9.3) & Tachyon

Spectra plotter:

  • system call interface to GnuPlot (needs PNG terminal)

Output formats:

  • Docx
  • ODT
  • LaTeX