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

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igmplot.cpp File Reference

Main of the IGMplot application. More...

`#include <igmplot.h>`
Include dependency graph for igmplot.cpp:

## 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.

## Detailed Description

Main of the IGMplot application.

## Function Documentation

## ◆ checkOutputFileSize()

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.

Parameters

  predictedOutputSize | The predicted size according to a NCISolver object
  outputSizeLimitActivated | If true check that predictedOutputSize < outputSizeLimitInGP
  outputSizeLimitInMB | The allowed max size of output files

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