IGMPlot: src/include/NCISolver.h File Reference

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

Loading...
Searching...
No Matches
Data Structures | Macros
NCISolver.h File Reference

Solver for NCI instance. More...

`#include <output.h>`
`#include <Node.h>`
Include dependency graph for NCISolver.h:
This graph shows which files directly or indirectly include this file:

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