gold simulating

Hi,
I’m simulating gold nanoparticle by lammps.
My in.file is showed below.

units metal
dimension 3
atom_style sphere
boundary p p p
lattice fcc 4.07
region box sphere 0 0 0 0.708 units lattice

create_box 1 box
change_box triclinic
create_atoms 1 region box
set group all diameter 3.58
set type 1 mass 196.96

pair_style eam
pair_coeff * * Au_u3.eam

velocity all create 310.0 234242
fix 1 all nvt/sphere temp 300.0 300.0 100.0

timestep 0.000001
thermo 500
thermo_modify lost ignore norm no
dump 1 all xyz 100 dump.xyz
run 10000
neigh_modify every 1 delay 0 check yes

min_style hftn
minimize 1.0e−4 1.0e−6 1000 1000
variable natoms equal “count(all)”
print “Number of atoms = ${natoms};”

when I run it, Lammps gives error that I do not know How can I solve it?: ERROR: Cannot set mass for this atom style.

Please guide me
thank you

Fatemeh Ramezani

Hi,
I'm simulating gold nanoparticle by lammps.
My in.file is showed below.

units metal
dimension 3
atom_style sphere
boundary p p p
lattice fcc 4.07
region box sphere 0 0 0 0.708 units lattice

create_box 1 box
change_box triclinic
create_atoms 1 region box
set group all diameter 3.58
set type 1 mass 196.96

pair_style eam
pair_coeff * * Au_u3.eam

velocity all create 310.0 234242
fix 1 all nvt/sphere temp 300.0 300.0 100.0

timestep 0.000001
thermo 500
thermo_modify lost ignore norm no
dump 1 all xyz 100 dump.xyz
run 10000
neigh_modify every 1 delay 0 check yes

min_style hftn
minimize 1.0e-4 1.0e-6 1000 1000
variable natoms equal "count(all)"
print "Number of atoms = ${natoms};"

when I run it, Lammps gives error that I do not know How can I solve it?:
ERROR: Cannot set mass for this atom style.
Please guide me

why did you choose this atom style (sphere)
over the default (atomic)? there is not need for it.

axel.

More specifically, if you use atom_style sphere
then mass is set on a per-particle basis, not per-type.

As Axel says, you should probably by using atom_style atomic.

Steve