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[lammps-users] Regarding read_data
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[lammps-users] Regarding read_data


From: bahman daneshian <bahmanpbamp@...24...>
Date: Thu, 3 May 2018 10:41:50 +0200

Dear Lammps experts, 

I am permanently facing with this error regarding read_data command:
"cannot read_data without add keyword after simulation box is defined." Whereas, I have applied the command after the simulation box command. In addition, ,I have also no idea regarding the "add keyword" . Since, I would like to just read 2 input files and then add their atoms in 2 regions. So, I need not to use add keyword as per the documentation and instead I need to use "region keyword".

By the way, any help is highly appreciated.



1- Lammps input file:

dimension      2
units   metal
atom_style    atomic
boundary        p p p # in 2d models z shall be periodic



region         box     block     0 200 0 200 -0.5 0.5 units box        ### simulation box
create_box     2         box # 2 is number of atom types
read_data substrate.dat  group  substrate
read_data  agglomerate.dat  group  agglomerate
lattice sq2 3.61


pair_style lj/cut 6.0 # cut off is usually 2.5 unitless in lj
pair_coeff * * 0.32 2.23
neighbor 2.0 bin
neigh_modify delay 5
#neigh_modify    delay 0 every 1 check yes

reset_timestep 0
timestep 0.005 # Achtung! in metal unit time-step is by default 1 picoseconds scale 


velocity all create 300 12345 mom yes rot no
fix 1 all nve
fix 2 all   temp/rescale 100 300.0 300.0 10.0 1.0
thermo 100
thermo_modify lost ignore flush yes
run 50000


2- atoms positions file 1(ID=1)

 Lammps data.desription
 
           3749  atoms
           2   atom types
 
           0  200 xlo xhi
           0  200 ylo yhi
         -0.5  0.5 zlo zhi
 
 #Masses## must have one blank line
 #
 #          1   58.80000    
 #          2   58.80000    
 Atoms
 
     1     1   0.00   0.00   0.00
     2     1   0.00   1.94   0.00



3- atoms positions file 2(ID=2)
 Lammps data.desription
 
           12584   atoms
           2   atom types
 
           0  200 xlo xhi
           0  200 ylo yhi
         -0.5  0.5 zlo zhi
 
 #Masses## must have one blank line
 #
 #          1   58.80000    
 #          2   58.80000  
 Atoms
 
     1     2  30.31 101.10   0.00
     2     2  30.31 103.04   0.00
     3     2  30.31 104.98   0.00

Yours Sincerely,
Bahman Daneshian