This inserts a value x0 at d -th position of x .
● Data Source:
CranContrib
● Keywords: expectation, free energy
● Alias: insert
●
0 images
|
UWHAM for estimating log-normalizing constants (or free energies) and expectations from multiple distributions (such as multiple generalized ensembles).
● Data Source:
CranContrib
● Keywords: UWHAM
● Alias: UWHAM, UWHAM-package
●
0 images
|
This function implements UWHAM for estimating expectations for multiple distributions (such as multiple generalized ensembles) as described in Tan et al. (2012).
● Data Source:
CranContrib
● Keywords: expectation
● Alias: uwham.phi
●
0 images
|
This function implements UWHAM for estimating log-normalizing constants (or free energies) and expectations from multiple distributions (such as multiple generalized ensembles) as described in Tan et al. (2012).
● Data Source:
CranContrib
● Keywords: free energy
● Alias: uwham
●
0 images
|
This function implements variance estimation based on block bootstrap for UWHAM estimates of free energies and expectations.
● Data Source:
CranContrib
● Keywords: expectation, free energy
● Alias: uwham.boot
●
0 images
|
histw
(Package: UWHAM) :
Weighted histogram
This function plots a weighted histogram.
● Data Source:
CranContrib
● Keywords: free energy
● Alias: histw
●
0 images
|
This function computes the objective function, its gradient and its hessian matrix for UWHAM.
● Data Source:
CranContrib
● Keywords: free energy
● Alias: obj.fcn
●
0 images
|