![]() units - keyword specifying that a value will be entered by the user for the string variable.Subsequently, the user can direct a module to a named geometry by using the SET directive (see the example in Section 5.7) to associate the default name of geometry with the alternate name. However, multiple geometries may be specified by using a different name for each. - user-supplied name for the geometry the default name is geometry, and all NWChem modules look for a geometry with this name.The following list describes all options and their defaults. As described above, the first line of the directive has the general form,Īll of the keywords and input on this line are optional. ![]() This section presents the options that can be specified using the keywords and optional input on the main line of the GEOMETRY directive. ![]() The following sections present the input for this compound directive in detail, describing the options available and the usages of the various keywords in each of the three main parts.
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