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IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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Files | |
| ADF_ArrayList.h | |
| ADF_KFc.h | |
| ADF_KFReader.h | |
| eig3.h | |
| Eigen-decomposition for symmetric 3x3 real matrices.Public domain, copied from the public domain Java library JAMA. | |
| general.h | |
| all data types and constant data needed by the rest of the program | |
| igmplot.h | |
| Tool for IGMplot main. | |
| LocalData.h | |
| Class designed to store Gradient related values and provide some utilities concerning those. | |
| NCISolver.h | |
| Solver for NCI instance. | |
| Node.h | |
| Worker for one Node of the NCI grid. | |
| output.h | |
| Files writing functions. | |
| ProgData.h | |
| Contains parameters of the instance. | |
| reader.h | |
| Tool functions for reading input data. | |
| Results.h | |
| Manage the results of the application. | |
| toolbox.h | |
| generic methods | |
| vmdFileGenerator.h | |
| Header of functions generating vmd files. | |
| vmdKeywords.h | |
| Definition of VMD Keywords. | |
| WFreader.h | |
| Procedure/Function to manage wave function files (WFN V1.0 and WFX V2.0) | |