IGMPlot: src/include/igmplot.h File Reference

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

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igmplot.h File Reference

Tool for IGMplot main. More...

`#include <sys/time.h>`
`#include <cstring>`
`#include <NCISolver.h>`
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## Functions
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.
int | main (int argc, char **argv)
| the main

## Detailed Description

Tool for IGMplot main.

## Function Documentation

## ◆ checkOutputFileSize()

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.

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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