metadynamics
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Structure to hold information about a collective variable.
Public Attributes | |
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. |