ghutchis / avogadro

Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible rendering and a powerful plugin architecture.
http://avogadro.cc/
GNU General Public License v2.0
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GAMESS orbital detection dependent on header contents #744

Closed ghutchis closed 8 years ago

ghutchis commented 9 years ago

Here are two outputs from the same input, run on two different computers. They are identical except for some machine-dependent text at the top and bottom. Avogadro only detects/reads the orbitals from one of the files.

Version: 1.1.1 Ubuntu 14.04.02

Both files happen to crash the same version on OS X 10.9.5.

Reported by: @berquist