Virtual Computational Chemistry Laboratory

Overview Input Files Output Files Example



NAMES

Keyword of Choice Type

Indicate if the first column of data set contains names.

The names can be any set of characters but they should not contain spaces and tabs. The names of data entries should be always in the first column.

Example of names of data entries:

molecule_1
2
1
!@#%~`</?%^&&_{][_=-)_)
This_is_also_name
 
You can see example of data file with and without names in Input data.

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