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polyluxus / runxtb.bash

wrapper for the extended tight-binding semi-empirical program package xtb
GNU General Public License v3.0
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add automatic generation of output filename to interactive mode #12

Closed polyluxus closed 6 years ago

polyluxus commented 6 years ago

When in interactive mode, an output file will only be produced when -o <ARG> is set explicitly. Enable -o auto or -o0 to still write to output, but generate the filename automatically.
In the rc this should be covered by output_file=auto or output_file=0 as equivalent switches to the above.