Keywords: |
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| RERUN | Force a recalculation, throwing away the current archive, hessian and wavefunction. | |
| REGENERATE | Regenerate the archive. Start from current coordinates, hessian, and wavefunction. | |
| PROPRERUN | Force a rerun of the property modules. | |
| SKIPCALCULATION SKIPCALC SKIP |
Skip all calculations. Do nothing on
submittal. This is the default action for abbreviated archiives from the Spartan database. | |
| BINARYDIR= | Use executables tuned to a different processor. For example; BINARYDIR=AMD64 or BINARYDIR=G3. The default should usually be correct, but this command can be handy for debugging purposes. | Default is machine specific |