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
predictedOutputSizeThe predicted size according to a NCISolver object
outputSizeLimitActivatedIf true check that predictedOutputSize < outputSizeLimitInGP
outputSizeLimitInMBThe allowed max size of output files
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