RDKit: TorsionAngleM6.h File Reference

| RDKit Open-source cheminformatics and machine learning.

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TorsionAngleM6.h File Reference
`#include <RDGeneral/export.h>`
`#include <ForceField/Contrib.h>`
`#include <tuple>`
`#include <vector>`

Go to the source code of this file.

## Classes
class | ForceFields::CrystalFF::TorsionAngleContribM6
| the torsion term for multiplicity m = 1 - 6 More...

## Namespaces
namespace | RDGeom
namespace | ForceFields
namespace | ForceFields::CrystalFF

## Functions
RDKIT_FORCEFIELDHELPERS_EXPORT double | ForceFields::CrystalFF::calcTorsionEnergyM6 (const std::vector< double > &V, const std::vector< int > &signs, const double cosPhi)
| calculates and returns the torsional energy