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IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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| 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 | |
| Caxis_t | Structure describing one axis |
| Cbond_t | Structure describing studied bond (QM treatment) |
| CcenterData | Structure to save center data |
| Ccriticalpoint | Structure to save critical points |
| CLocalData | Class designed to store Gradient related values and provide some utilities concerning those |
| CmoleculeOrbital | Structure to save molecule orbital data |
| ▼CNCISolver | 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 |
| Cpoint | Structure to save 3D point (triplet of doubles) |
| CNode | Class used to handle every node data storage and processing ; implemented for multiprocessing implementation ; therefore, thread proof |
| Cnorms_t | Structure used for the storage of all vectors' norms for the gradients (PROMOL treatment) |
| Cparam_t | Structure used for the storage of the parameters read from the parameter file param.igm |
| Cposition_t | Structure describing one 3D position |
| Cpositions_t | Structure containing a serie of 3D position |
| CProgData | Class designed to store the program's main dataprovide some utilities concerning those |
| CResults | Class designed to store all results that can be used as output by the program |