Project ID: plumID:19.060
Source: 1_wolfe_quapp_potential/single_replica/inputs/plumed.dat
Originally used with PLUMED version: 2.5
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
tested onv2.10
tested onmaster
tested on master
# vim:ft=plumed
Enables syntax highlighting for PLUMED files in vim. See here for more details.
UNITS
This command sets the internal units for the code. More details
NATURAL
use natural units

LOAD
Loads a library, possibly defining new actions. More details
FILE
file to be loaded
=../../../0_code/NeuralNetworkVes.cpp
p:
POSITION
Calculate the components of the position of an atom. More details
ATOM
the atom number
=1 ene:
ENERGY
Calculate the total potential energy of the simulation box. More details

# nn bias
NN_VES
This action is not part of PLUMED and was included by using a LOAD command More details
... LABEL=nn ARG=p.x NODES=48,24,12 OPTIM=ADAM ACTIVATION=RELU GRID_MIN=-3 GRID_MAX=3 GRID_BIN=50 TEMP=1 AVE_STRIDE=500 PRINT_STRIDE=1000 TARGET_STRIDE=1 GAMMA=10 LRATE=0.001 TAU_KL=50000 DECAY=5000 ADAPTIVE_DECAY=0.5 ... NN_VES
PRINT
Print quantities to a file. More details
STRIDE
the frequency with which the quantities of interest should be output
=500
ARG
the labels of the values that you would like to print to the file
FILE
the name of the file on which to output these quantities
=COLVAR
FMT
the format that should be used to output real numbers
=%10.8f