Virtual Computational Chemistry Laboratory

Input data Output results Example List of key words


Keyword of  Integer Type

Some output values can be unknown (missed). This option specifies lower limit for missed values. All large values  (>=MISSED value) will be considered as missed and will not be used in calculations.

N.B.! In order to avoid mistakes that some normall values will be used as missed, a warning message will be printed if some value is in [0.9*MISSED,MISSED) or >1.1*MISSED.

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