Wavefunction file creation (wfx, wfn)

polyluxus / tools-for-g09.bash

Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.

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Closed polyluxus closed 6 years ago

polyluxus commented 6 years ago

There should be a switch to call the creation of a wfn file instead of the newer, extended version wfx.

polyluxus commented 6 years ago

Added in v0.1.4.