IGMPlot 3.17.3
Optimized IGMplot version able to use wfn/wfx/rkf/xyz files
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Data Structures
Here are the data structures with brief descriptions:
[detail level 12]
 Caxis_tStructure describing one axis
 Cbond_tStructure describing studied bond (QM treatment)
 CcenterDataStructure to save center data
 CcriticalpointStructure to save critical points
 CLocalDataClass designed to store Gradient related values and provide some utilities concerning those
 CmoleculeOrbitalStructure to save molecule orbital data
 CNCISolverClass designed to manage the entire problem solving concerning the processing of molecular interactions It reads the problem when created and solves it when asked for
 CbasinPropertiesStructure to save ELF basin population and volume
 CpointStructure to save 3D point (triplet of doubles)
 CNodeClass used to handle every node data storage and processing ; implemented for multiprocessing implementation ; therefore, thread proof
 Cnorms_tStructure used for the storage of all vectors' norms for the gradients (PROMOL treatment)
 Cparam_tStructure used for the storage of the parameters read from the parameter file param.igm
 Cposition_tStructure describing one 3D position
 Cpositions_tStructure containing a serie of 3D position
 CProgDataClass designed to store the program's main dataprovide some utilities concerning those
 CPromolNCIParams
 CResultsClass designed to store all results that can be used as output by the program