PLUMED-NEST

Project ID: plumID:21.039
Source: data/silicon/0_unbiased_dlda/plumed.dat
Originally used with PLUMED version: 2.8
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. 

####################################
#  >> Silicon <<
#  DRIVER - Compute descriptors
####################################

# Load Structure factor code
LOAD
Loads a library, possibly defining new actions. More details
 
FILE
file to be loaded
=../StructureFactor_descriptor.test.cpp

UNITS
This command sets the internal units for the code. More details
 
LENGTH
the units of lengths
=A

# Define Descriptors
cv: 
STRUCTURE_FACTOR_DESCRIPTOR_TEST
This action is not part of PLUMED and was included by using a LOAD command More details
 ACTIVE_SHELLS=27,72,99,144,171,216,243,288,315 STRUCTURE=DIAMOND UNIT_CELLS=3

PRINT
Print quantities to a file. More details
 
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_DRIVER_SOLID 
ARG
the input for this action is the scalar output from one or more other actions
=cv

ENDPLUMED
Terminate plumed input. More details