This is part of the ves module | |
It is only available if you configure PLUMED with ./configure –enable-modules=ves . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list. |
Generalized extreme value distribution (static).
Employ a target distribution given by a generalized extreme value distribution that is defined as
\[ p(s) = \frac{1}{\sigma} \, t(s)^{\xi+1} \, e^{-t(s)}, \]
where
\[ t(s) = \begin{cases} \left( 1 + \xi \left( \frac{s-\mu}{\sigma} \right) \right)^{-1/\xi} & \mathrm{if\ }\xi \neq 0 \\ \exp\left(- \frac{s-\mu}{\sigma} \right) & \mathrm{if\ } \xi = 0 \end{cases}, \]
and \(\mu\) is the location parameter which approximately determines the location of the maximum of the distribution, \(\sigma>0\) is the scale parameter that determines the broadness of the distribution, and \(\xi\) is the shape parameter that determines the tail behavior of the distribution. For \(\xi=0\), \(\xi>0\), and \(\xi<0\) the Gumbel, Frechet, and Weibull families of distributions are obtained, respectively.
The location parameter \(\mu\) is given using the LOCATION keyword, the scale parameter \(\sigma\) using the SCALE keyword, and the shape parameter \(\xi\) using the SHAPE keyword.
This target distribution action is only defined for one dimension, for multiple dimensions it should be used in combination with TD_PRODUCT_DISTRIBUTION action.
Generalized extreme value distribution with \(\mu=0.0\), \(\sigma=2.0\), and \(\xi=0.0\) (Gumbel distribution)
td: TD_GENERALIZED_EXTREME_VALUELOCATION=0.0compulsory keyword The \f$\mu\f$ parameter of the generalized extreme value distribution.SCALE=2.0compulsory keyword The \f$\sigma\f$ parameter for the generalized extreme value distribution given as a positive number.SHAPE=0.0compulsory keyword The \f$\xi\f$ parameter for the generalized extreme value distribution.
Generalized extreme value distribution with \(\mu=-5.0\), \(\sigma=1.0\), and \(\xi=0.5\) (Frechet distribution)
td: TD_GENERALIZED_EXTREME_VALUELOCATION=-5.0compulsory keyword The \f$\mu\f$ parameter of the generalized extreme value distribution.SCALE=1.0compulsory keyword The \f$\sigma\f$ parameter for the generalized extreme value distribution given as a positive number.SHAPE=0.5compulsory keyword The \f$\xi\f$ parameter for the generalized extreme value distribution.
Generalized extreme value distribution with \(\mu=5.0\), \(\sigma=2.0\), and \(\xi=-0.5\) (Weibull distribution)
td: TD_GENERALIZED_EXTREME_VALUELOCATION=5.0compulsory keyword The \f$\mu\f$ parameter of the generalized extreme value distribution.SCALE=1.0compulsory keyword The \f$\sigma\f$ parameter for the generalized extreme value distribution given as a positive number.SHAPE=-0.5compulsory keyword The \f$\xi\f$ parameter for the generalized extreme value distribution.
The generalized extreme value distribution is only defined for one dimension so for multiple dimensions we have to use it in combination with the TD_PRODUCT_DISTRIBUTION action as shown in the following example where we have a Generalized extreme value distribution for argument 1 and uniform distribution for argument 2
td_gev: TD_GENERALIZED_EXTREME_VALUELOCATION=-5.0compulsory keyword The \f$\mu\f$ parameter of the generalized extreme value distribution.SCALE=1.0compulsory keyword The \f$\sigma\f$ parameter for the generalized extreme value distribution given as a positive number.SHAPE=0.5 td_uni: TD_UNIFORM td_pd: TD_PRODUCT_DISTRIBUTIONcompulsory keyword The \f$\xi\f$ parameter for the generalized extreme value distribution.DISTRIBUTIONS=td_gev,td_unicompulsory keyword Labels of the one-dimensional target distribution actions for each argument to be used in the product distribution.
LOCATION | The \(\mu\) parameter of the generalized extreme value distribution. |
SCALE | The \(\sigma\) parameter for the generalized extreme value distribution given as a positive number. |
SHAPE | The \(\xi\) parameter for the generalized extreme value distribution. |
SHIFT_TO_ZERO | ( default=off ) Shift the minimum value of the target distribution to zero. This can for example be used to avoid negative values in the target distribution. If this option is active the distribution will be automatically normalized. |
NORMALIZE | ( default=off ) Renormalized the target distribution over the intervals on which it is defined to make sure that it is properly normalized to 1. In most cases this should not be needed as the target distributions should be normalized. The code will issue a warning (but still run) if this is needed for some reason. |
WELLTEMPERED_FACTOR | Broaden the target distribution such that it is taken as [p(s)]^(1/ \(\gamma\)) where \(\gamma\) is the well tempered factor given here. If this option is active the distribution will be automatically normalized. |