BF_COMBINED

	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.

Combining other basis functions types

Examples

Here we define both Fourier cosine and sine expansions of order 10, each with 11 basis functions, which are combined. This results in a total number of 21 basis functions as only the constant from is bf_cos is used.

Click on the labels of the actions for more information on what each action computes

bf_cos: BF_COSINE 
MINIMUM
compulsory keyword 
The minimum of the interval on which the basis functions are defined. 
=-pi 
MAXIMUM
compulsory keyword 
The maximum of the interval on which the basis functions are defined. 
=+pi 
ORDER
compulsory keyword 
The order of the basis function expansion. 
=10 The BF_COSINE action with label bf_cos
bf_sin: BF_SINE 
MINIMUM
compulsory keyword 
The minimum of the interval on which the basis functions are defined. 
=-pi 
MAXIMUM
compulsory keyword 
The maximum of the interval on which the basis functions are defined. 
=+pi 
ORDER
compulsory keyword 
The order of the basis function expansion. 
=10 The BF_SINE action with label bf_sin
bf_comb: BF_COMBINED 
BASIS_FUNCTIONS
compulsory keyword 
Labels of the basis functions that should be combined. 
=bf_cos,bf_sin The BF_COMBINED action with label bf_comb

In principle this is the same as using BF_FOURIER with ORDER=10 but with different ordering of the basis functions. Note that the order used in BASIS_FUNCTIONS matters for the ordering of the basis functions, using BASIS_FUNCTIONS=bf_sin,bf_cos would results in a different order of the basis functions. This should be kept in mind when restarting from previous coefficients.

Glossary of keywords and components

Compulsory keywords

BASIS_FUNCTIONS

Labels of the basis functions that should be combined. Note that the order used matters for the ordering of the basis functions. This needs to be kept in mind when restarting from previous coefficients.

Options

DEBUG_INFO

( default=off ) Print out more detailed information about the basis set. Useful for debugging.