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IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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Main of the IGMplot application. More...
#include <igmplot.h>
Functions | |
| int | main (int argc, char **argv) |
| the main | |
| void | checkOutputFileSize (const double predictedOutputSize, const bool outputSizeLimitActivated, const unsigned int outputSizeLimitInMB) |
| Procedure which checks that the predicted size of output files are correct according to outputSizeLimitInMB. | |
Main of the IGMplot application.
| void checkOutputFileSize | ( | const double | predictedOutputSize, |
| const bool | outputSizeLimitActivated, | ||
| const unsigned int | outputSizeLimitInMB = 2048 ) |
Procedure which checks that the predicted size of output files are correct according to outputSizeLimitInMB.
| predictedOutputSize | The predicted size according to a NCISolver object |
| outputSizeLimitActivated | If true check that predictedOutputSize < outputSizeLimitInGP |
| outputSizeLimitInMB | The allowed max size of output files |
