PLUMED-NEST

Project ID: plumID:21.005
Source: SF-prof/plumed_structure_factor_OO.dat
Originally used with PLUMED version: 2.7-mod
Stable: zipped raw stdout - zipped raw stderr - stderr
Master: zipped raw stdout - zipped raw stderr - stderr

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

# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details. 
LOAD
Loads a library, possibly defining new actions. More details
 
FILE
file to be loaded
=../codes/StructureFactor_sphericallyAveraged.cpp

GROUP
Define a group of atoms so that a particular list of atoms can be referenced with a single label in definitions of CVs or virtual atoms. More details
 
ATOMS
the numerical indexes for the set of atoms in the group
=2-324:3,3-324:3 
LABEL
a label for the action so that its output can be referenced in the input to other actions
=O

sf: 
STRUCTURE_FACTOR_SPHERICALLY_AVERAGED
This action is not part of PLUMED and was included by using a LOAD command More details
 N2_MAX=250 ATOMS=O 

PRINT
Print quantities to a file. More details
 
FMT
the format that should be used to output real numbers
=%g 
STRIDE
 the frequency with which the quantities of interest should be output
=1 
FILE
the name of the file on which to output these quantities
=COLVAR-sfOO 
ARG
the input for this action is the scalar output from one or more other actions
=sf