#include <integrator.h>
Public Member Functions | |
| Nhc06Integrator (int nrspa) | |
 Public Member Functions inherited from tinker::BasicIntegrator | |
| void | printDetail (FILE *) |
| BasicIntegrator (int nRespaLogV, PropagatorEnum pe, ThermostatEnum te, BarostatEnum be) | |
| BasicIntegrator () | |
| virtual | ~BasicIntegrator () |
| virtual void | dynamic (int istep, time_prec dt) |
Protected Member Functions | |
| const char * | name () const override |
| void | kickoff () override |
| Protected Member Functions inherited from tinker::BasicIntegrator | |
| void | plan (int istep) |
| virtual const char * | name () const =0 |
| virtual void | kickoff ()=0 |
Additional Inherited Members | |
| Protected Attributes inherited from tinker::BasicIntegrator | |
| BasicPropagator * | m_prop |
| BasicThermostat * | m_thermo |
| BasicBarostat * | m_baro |
| int | vers1 |
| bool | save |
| Static Protected Attributes inherited from tinker::IntegratorStaticData | |
| static bool | applyBaro |
| static bool | printPressure |
| static bool | atomic |
| static bool | aniso |
| static bool | semiiso |
| static int | nrespa |
| static double | dofP |
| static int | arrayLength |
| static const int(* | indexArray )[2] |
| static const int | AnisoArray [6][2] |
| static constexpr int | AnisoOrthoOrOct = 3 |
| static constexpr int | AnisoMono = 4 |
| static constexpr int | AnisoTri = 6 |
| static const int | SemiArray [4][2] |
| static constexpr int | SemiOrthoOrOct = 2 |
| static constexpr int | SemiMono = 3 |
| static constexpr int | SemiTri = 4 |
Constructor & Destructor Documentation
◆ Nhc06Integrator()
| tinker::Nhc06Integrator::Nhc06Integrator | ( | int | nrspa | ) |
Member Function Documentation
◆ kickoff()
|
overrideprotectedvirtual |
Implements tinker::BasicIntegrator.
◆ name()
|
overrideprotectedvirtual |
Implements tinker::BasicIntegrator.
The documentation for this class was generated from the following file:
