Hello everyone:
I want to know whether the atom-style variable could definite the group. And I also want to know whether in the latest lammps, the dynamic group can be used by the compute or fix command.
I am having a problem in the definition of the group which uses the atom-style variable. I use the LAMMPS 64-bit 20150904. In the LAMMPS Manual, it refers that using the variable style, is a general way to flag specific atoms to include or exclude from a group. Following is the example:
compute 1 all pe/atom
compute 2 all reduce sum c_1
thermo_style custom step temp pe c_2
run 0
variable eatom atom “c_1 > -3.0”
group hienergy variable eatom
the example selects the atom which the atom potential energy greater than -3.0. However, when I run the code, there is an error"ERROR: Compute used in variable between runs is not current".
Hello everyone:
I want to know whether the atom-style variable could definite the
group. And I also want to know whether in the latest lammps, the dynamic
group can be used by the compute or fix command.
I am having a problem in the definition of the group which uses the
atom-style variable. I use the LAMMPS 64-bit 20150904. In the LAMMPS Manual,
it refers that using the variable style, is a general way to flag specific
atoms to include or exclude from a group. Following is the example:
compute 1 all pe/atom
compute 2 all reduce sum c_1
thermo_style custom step temp pe c_2
run 0
variable eatom atom "c_1 > -3.0"
group hienergy variable eatom
the example selects the atom which the atom potential energy greater than
-3.0. However, when I run the code, there is an error"ERROR: Compute used in
variable between runs is not current".
when i add these lines to examples/in.melt, there is not error with
current LAMMPS version (17 Nov 2016).
axel.