IGMPlot: Data Structures

IGMPlot 3.16 Optimized IGMplot version able to use wfn/wfx/xyz files

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Data Structures
Here are the data structures with brief descriptions:
[detail level 12]

C _ArrayList |
C _KFBlockRun |
C _KFDataBlockHeader32 |
C _KFDataBlockHeader64 |
C _KFFile |
C _KFIndexBlockEntry32 |
C _KFIndexBlockEntry64 |
C _KFIndexBlockHeader32 |
C _KFIndexBlockHeader64 |
C _KFSection |
C _KFSuperIndexBlock32 |
C _KFSuperIndexBlock64 |
C _KFSuperIndexBlockEntry32 |
C _KFSuperIndexBlockEntry64 |
C _KFSuperIndexBlockHeader32 |
C _KFSuperIndexBlockHeader64 |
C _KFVariable |
C axis_t | Structure describing one axis
C bond_t | Structure describing studied bond (QM treatment)
C centerData | Structure to save center data
C criticalpoint | Structure to save critical points
C LocalData | Class designed to store Gradient related values and provide some utilities concerning those
C moleculeOrbital | Structure to save molecule orbital data
▼C NCISolver | Class 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
C point | Structure to save 3D point (triplet of doubles)
C Node | Class used to handle every node data storage and processing ; implemented for multiprocessing implementation ; therefore, thread proof
C norms_t | Structure used for the storage of all vectors' norms for the gradients (PROMOL treatment)
C param_t | Structure used for the storage of the parameters read from the parameter file param.igm
C position_t | Structure describing one 3D position
C positions_t | Structure containing a serie of 3D position
C ProgData | Class designed to store the program's main dataprovide some utilities concerning those
C Results | Class designed to store all results that can be used as output by the program