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metadynamics
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Structure to hold information about a collective variable.
Public Attributes | |
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boost::shared_ptr < CollectiveVariable > | m_cv |
| The collective variable. | |
| Scalar | m_sigma |
| Width of compensating gaussians for this variable. | |
| Scalar | m_cv_min |
| Minium value of collective variable (if using grid) | |
| Scalar | m_cv_max |
| Maximum value of collective variable (if using grid) | |
| Scalar | m_num_points |
| Number of grid points for this collective variable. | |
1.8.1.1