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Commit 4c514e86 authored by Pavel Jirásek's avatar Pavel Jirásek
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RT#16611

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docs.it4i/software/chemistry/orca.md
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......@@ -111,7 +111,7 @@ You also need to edit the previously used PBS submission file. You have to speci
#PBS -q qexp
ml ORCA/4.0.1.2
${EBROOTORCA}/orca orca_parallel.inp
${EBROOTORCA}/orca orca_parallel.inp > output.out
```
!!! note
......
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