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77 lines (54 loc) · 2.15 KB
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########################################################
# #
# Continuous Polymer Model - Input File #
# #
# Wang-Landau Simulations are run by default. #
# Metropolis Sampling can be turned on at the #
# bottom of this file.
########################################################
### Program Parameters #################################
### Model ##############################################
### Number of monomers in the chain # ##################
N 10
### Non-Bonded Interaction (1 = LJ, 2 = Quasi LJ) ######
NBINTERACTION 1
### Wang-Landau ########################################
### Bin Width for Primary Sampling Direction ###########
dWLD1 0.1
### MAXimum Boundary for Primary Sampling Direction ####
WLD1min -1.9
### MINimum Boundary for Primary Sampling Direction ####
WLD1max 0.0
### Flatness Criteria (min of hist / avg of hist) ######
Flatness 0.4
### Initial Modification Factor (natural log) ##########
ModFactorInit 1.0
### Modification Factor Iterator #######################
IterationFactor 2.0
### Modification Factor Threshold (natural log) ########
ModFactorFinal 1.0e-6
### Turns on the Production run at the end of a sim ####
ProductionBinSamps 100000
### Thermodynamics #####################################
### Initial Temperature ################################
TTi 0.001
### Final Temperature ##################################
TTf 5.0
### Temperature Step ###################################
dTT 0.001
### Metropolis #########################################
### Metropolis Sampling - "1" is ON, "0" is OFF ########
MetropolisSampling 0
### Initial Temperature for simple Seq() loop ##########
MTi 5.0
### Final Temperature for simple Seq() loop ############
MTf 50.0
### Final Temperature for simple Seq() loop ############
MdT 0.1
### Number of MC Samples taken in the Seq() function ###
MSAMPS 1.0e4
### Number of Samples separating data in Seq() #########
MSEP 1.0e2
### Number of Dropped Samples before each T run ########
MDROP 1.0e1
########################################################