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IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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| ▼ src | |
| ▼ include | |
| 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) |
| eig3.cpp | Implementation of eig3.h definitions |
| igmplot.cpp | Main of the IGMplot application |
| LocalData.cpp | Implementation of LocalData.h definitions |
| NCISolver.cpp | Implementation of NCISolver.h definition |
| Node.cpp | Implementation of Node.h |
| output.cpp | Implementation of methods declared in output.h |
| ProgData.cpp | Implementation of ProgData description (from ProgData.h) |
| reader.cpp | Implementation of methods declared in reader.h |
| Results.cpp | Implementation of Results.h definitions |
| toolbox.cpp | Implementation of methods declared in toolbox.h |
| vmdFileGenerator.cpp | Implementation of methods declared in vmdFileGenerator.h |
| WFreader.cpp | Implementation of the methods declared in WFNreader.h |