psi::libtrans::SpaceInfo Class Reference
#include <spaceinfo.h>
List of all members.
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Public Attributes |
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int * | aOrbsPI |
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int * | bOrbsPI |
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int * | aFOrbPI |
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int * | bFOrbPI |
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double *** | Ca |
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double *** | Cb |
Detailed Description
SpaceInfo is just a structure that contains all of the essential information about an
MOSpace needed for the transformation. It provides a convenient way to give default values to the components and allows multiple copies of the information for a given space. There might be times where mulitple instances of the occupied space are required, for example, where one freezes the core and the other does not. For this purpose, it's better to include the
SpaceInfo (which can be replicated) as a member of
MOSpace (which cannot be replicated, because of the unique labelling).
The documentation for this class was generated from the following file:
