Add Relative Energy Property Dialog Box

Calculate energies relative to the lowest energy for each group or subgroup, creating a new relative energy property. The relative energies are calculated for the entries at the top level of each group or subgroup that have values for the chosen energy property.

To open this dialog box, choose Data → Add Property → Relative Energy in the Project Table Panel.

  • Features
  • Additional Resources

Add Relative Energy Property Dialog Box Features

Starting property text box and choose button

Specify the energy property that you want to use to compute relative energies. Click the button to choose from the properties available in the Project Table. A property selector opens, with Energy as the default filter.

Units option menu

Choose the units of the energy property. The units are set automatically if the starting property has units associated with it.

New property name text box

Enter the name of the new energy property. If the text box is empty, it is filled in with Relative starting-property-name when you choose the starting property, otherwise the name you enter is the name that is used. The units of the new property are appended to the property name.

New units option menu

Choose the units of the relative energy. By default, the same units as the starting property are used, but you can choose a different unit and the conversion is performed when the relative energies are calculated. The units are appended to the new property name.

Compute separately for each grouping level option

Compute relative energies separately for the set of entries at the top level of each group or subgroup. If Compute for selected entries only is selected, each set of entries is restricted to those that are selected in the Project Table.

Compute for selected entries only option

Compute the relative energies for the selected entries in the Project Table only. By default, the energies are computed for all entries that have the energy property.

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