[lammps-users] Error: Angles defined but no angle types

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1

Hello All,

I am constructing an H2O model data file with bonds and angles. I typed the headers as below:

LAMMPS Description

9216 atoms
6144 bonds
3072 angles

2 atom types
1 bond types
1 angle types

-50.3425 40.9055 xlo xhi
-4.23577 48.4463 ylo yhi
-28.5905 -0.0185 zlo zhi
-30.416 -0.01851 3.03E-15 xy xz yz

Masses

1 1.008
2 15.9994

Bond Coeffs

1 0 0.9572

Angle Coeffs

1 0 104.52

Then, I read it with the code:

read_data H2O1.data add append offset 3 0 0 0 0

However, the error occurs as “Angles defined but no angle types”. Could someone give me some ideas why this happened? My data file obviously defined the angle type.

Great thanks

2

Please always report which LAMMPS version you are using.

you must reserve sufficient space for types when you create the simulation cell.
when using read_data with “add” this is too late, the cell is already created, so the angle types setting in your data file is ignored.
this is explained in the read_data documentation, please have a closer look.