Exckel 0.1.0.0
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