IGMPlot 3.16
Optimized IGMplot version able to use wfn/wfx/xyz files
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NCISolver.h File Reference

Solver for NCI instance. More...

#include <output.h>
#include <Node.h>
Include dependency graph for NCISolver.h:
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Go to the source code of this file.

Data Structures

class  NCISolver
 Class designed to manage the entire problem solving concerning the processing of molecular interactions It reads the problem when created and solves it when asked for. More...
 
struct  NCISolver::point
 structure to save 3D point (triplet of doubles) More...
 

Macros

#define THREE   std::setw(3) << std::setfill(' ')
 Adapt output to width of 4 with corresponding ' '.
 
#define FOUR   std::setw(4) << std::setfill(' ')
 Adapt output to width of 4 with corresponding ' '.
 
#define FIVE   std::setw(5) << std::setfill(' ')
 Adapt output to width of 5 with corresponding ' '.
 
#define SIX   std::setw(6) << std::setfill(' ')
 Adapt output to width of 6 with corresponding ' '.
 
#define SEVEN   std::setw(7) << std::setfill(' ')
 Adapt output to width of 6 with corresponding ' '.
 
#define HEIGHT   std::setw(8) << std::setfill(' ')
 Adapt output to width of 6 with corresponding ' '.
 
#define NINE   std::setw(9) << std::setfill(' ')
 Adapt output to width of 9 with corresponding ' '.
 

Detailed Description

Solver for NCI instance.

Author
Emmanuel