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11:51 PM
posted on September 24, 2021 by ramon_trevino

I am attempting to run an EDA calculation on a relatively small molecule but have been receiving this error for all but one job: Q-Chem fatal error occurred in module libalmo\libalmo\eda\eda2.C, line 872: ortho fragment occupied subspace optimization failed to converge Please submit a crash report at Q-Chem Crash Reporter I am not sure where this module is located to investiga

 

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