metadynamics
Public Member Functions | Private Attributes
LamellarOrderParameterGPU Class Reference

Detailed Description

Class to calculate the lamellar order parameter on the GPU.

Inheritance diagram for LamellarOrderParameterGPU:
Inheritance graph
[legend]

List of all members.

Public Member Functions

 LamellarOrderParameterGPU (boost::shared_ptr< SystemDefinition > sysdef, const std::vector< Scalar > &mode, const std::vector< int3 > &lattice_vectors, const std::vector< Scalar > &phases, const std::string &suffix="")
virtual void computeForces (unsigned int timestep)
- Public Member Functions inherited from LamellarOrderParameter
 LamellarOrderParameter (boost::shared_ptr< SystemDefinition > sysdef, const std::vector< Scalar > &mode, const std::vector< int3 > &lattice_vectors, const std::vector< Scalar > &phases, const std::string &suffix="")
std::vector< std::string > getProvidedLogQuantities ()
Scalar getLogValue (const std::string &quantity, unsigned int timestep)
Scalar getCurrentValue (unsigned int timestep)
- Public Member Functions inherited from CollectiveVariable
 CollectiveVariable (boost::shared_ptr< SystemDefinition > sysdef, const std::string &name)
virtual void setBiasFactor (Scalar bias)
std::string getName ()

Private Attributes

GPUArray< Scalar > m_gpu_mode
 Factors multiplying per-type densities to obtain scalar quantity.

Additional Inherited Members

- Protected Member Functions inherited from LamellarOrderParameter
void calculateWaveVectors ()
 Helper function to update the wave vectors.
- Protected Attributes inherited from LamellarOrderParameter
std::string m_log_name
 The log name for this collective variable.
std::vector< int3 > m_lattice_vectors
 Stores the list of miller indices.
std::vector< Scalar > m_mode
 Stores the per-type mode coefficients.
Scalar m_sum
 The current value of the collective variable.
GPUArray< Scalar3 > m_wave_vectors
 GPUArray of wave vectors.
GPUArray< Scalar2 > m_fourier_modes
 Fourier modes.
GPUArray< Scalar > m_phases
 Phase shifts.
- Protected Attributes inherited from CollectiveVariable
Scalar m_bias
std::string m_cv_name

The documentation for this class was generated from the following files: