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Restart Options

These are described in the restart section.

ENDS

This directive must be the last directive used to return control to the main menu of directives. Do not confuse this use of ENDS with previous ENDS terminating a short-range potential input. In some cases 2 consequetive ENDS directives are needed.

Error messages

EXECUTION TERMINATING BECAUSE OF ABOVE ERRORS
The detection of an error does not necessarily cause an immediate stop, the program continues to try to detect as many errors as possible in one run. If you get this error, check the output for additional error messages.
Job Steps In DMAREL - Intramolecular Geometry Setup Job Steps In DMAREL - Unit Cell and Defect Setup Main Page
Next: Job Steps In DMAREL - Intramolecular Geometry Setup Previous: Job Steps In DMAREL - Short Range Potential Input: Torsion Input Contents: Contents Page