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metadynamics
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Class to calculate the lamellar order parameter on the GPU.

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 |
1.8.1.1