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[lammps-users] Can atomsk CFG file be generated by lammps code
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[lammps-users] Can atomsk CFG file be generated by lammps code


From: Meraj Khan <merajkhan113@...24...>
Date: Sun, 6 May 2018 15:36:33 +0530

Respected Sir,
 
CFG file generated by lammps code has a different format than that of atomsk software (CFG). With the help of lammps code, I want to generate cfg file of atomsk type format such as given below:-

Number of particles = 375669
# Voronoi polycrystal with 16 grains
A = 1.000000000 Angstrom (basic length-scale)
H0(1,1) =     160.00000000
H0(1,2) =       0.00000000
H0(1,3) =       0.00000000
H0(2,1) =       0.00000000
H0(2,2) =     160.00000000
H0(2,3) =       0.00000000
H0(3,1) =       0.00000000
H0(3,2) =       0.00000000
H0(3,3) =     160.00000000
.NO_VELOCITY.
entry_count =   4
auxiliary[0] = grainID
  58.6934
Ni
0.16095781    0.18380183    0.35694450  0.10000E+01
0.14854797    0.17903079    0.34886779  0.10000E+01
0.13999094    0.19027638    0.35537270  0.10000E+01
0.12758110    0.18550535    0.34729600  0.10000E+01
0.19433451    0.18209830    0.36659300  0.10000E+01
0.18577748    0.19334389    0.37309792  0.10000E+01
0.17336764    0.18857286    0.36502121  0.10000E+01
0.15160935    0.19624493    0.37893940  0.10000E+01
0.16481061    0.19981845    0.37152612  0.10000E+01
0.15240077    0.19504742    0.36344941  0.10000E+01
0.13919951    0.19147390    0.37086269  0.10000E+01
0.13064248    0.20271949    0.37736760  0.10000E+01
0.14384374    0.20629301    0.36995433  0.10000E+01
0.13143391    0.20152197    0.36187762  0.10000E+01
       |                     |                       |                 |
X-cordinate      Y-cordinate      Z-cordinate      grain ID 

Is it possible to generate the .cfg with different format in the lammps code ?

Thanking you
With best regard
MD. MERAJ
Ph.Scholar 
Department of Metallurgical and Materials Engg.
National Institute of Technology (NIT), Rourkela - 769008
ODISHA, INDIA
Ph No- +91-9337343310