This is part of the dimred module It is only available if you configure PLUMED with ./configure –enable-modules=dimred . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.

Read in a sketch-map projection from an input file

Examples
Glossary of keywords and components
Description of components

The names of the components in this action can be customized by the user in the actions input file. However, in addition to the components that can be customized the following quantities will always be output

 Quantity Description coord the low-dimensional projections of the various input configurations

In addition the following quantities can be calculated by employing the keywords listed below

 Quantity Keyword Description gradient GRADIENT the gradient vmean VMEAN the norm of the mean vector. The output component can be referred to elsewhere in the input file by using the label.vmean vsum VSUM the norm of sum of vectors. The output component can be referred to elsewhere in the input file by using the label.vsum spath SPATH the position on the path gspath GPATH the position on the path calculated using trigonometry gzpath GPATH the distance from the path calculated using trigonometry zpath ZPATH the distance from the path altmin ALT_MIN the minimum value. This is calculated using the formula described in the description of the keyword so as to make it continuous. between BETWEEN the number/fraction of values within a certain range. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. highest HIGHEST the highest of the quantities calculated by this action lessthan LESS_THAN the number of values less than a target value. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. lowest LOWEST the lowest of the quantities calculated by this action max MAX the maximum value. This is calculated using the formula described in the description of the keyword so as to make it continuous. mean MEAN the mean value. The output component can be referred to elsewhere in the input file by using the label.mean min MIN the minimum value. This is calculated using the formula described in the description of the keyword so as to make it continuous. moment MOMENTS the central moments of the distribution of values. The second moment would be referenced elsewhere in the input file using label.moment-2, the third as label.moment-3, etc. morethan MORE_THAN the number of values more than a target value. This is calculated using one of the formula described in the description of the keyword so as to make it continuous. You can calculate this quantity multiple times using different parameters. sum SUM the sum of values
Compulsory keywords
 HIGH_DIM_FUNCTION ( default=as in input action ) the parameters of the switching function in the high dimensional space LOW_DIM_FUNCTION ( default=as in input action ) the parameters of the switching function in the low dimensional space MIXPARAM ( default=0.0 ) the amount of the pure distances to mix into the stress function TYPE ( default=OPTIMAL-FAST ) the manner in which distances are calculated. More information on the different metrics that are available in PLUMED can be found in the section of the manual on Distances from reference configurations REFERENCE the file containing the sketch-map projection PROPERTY the property to be used in the index. This should be in the REMARK of the reference
Options
 SERIAL ( default=off ) do the calculation in serial. Do not use MPI LOWMEM ( default=off ) lower the memory requirements DISABLE_CHECKS ( default=off ) disable checks on reference input structures.