Hi everyone,
I have built lammps with atc package days ago and am explore the atc commands.
I run the file exemples/user/atc/in.finite_well, and got an error:
…
fix_modify AtC extrinsic electron_integration implicit 3
fix_modify AtC extrinsic schrodinger_poisson_solver self_consistency 3 # 30
ERROR: Illegal fix_modify command (…/fix.cpp:135)
There is no problem with all previous “fix_modify” commands.
Then I tried another input file: in.no_atoms_ddm. This time, it runs without any error.
I wonder if there is any change in the package that is not compatible to previous examples?
Thanks!
Hi everyone,
I have built lammps with atc package days ago and am explore the atc
commands.
I run the file exemples/user/atc/in.finite_well, and got an error:
......
fix_modify AtC extrinsic electron_integration implicit 3
fix_modify AtC extrinsic schrodinger_poisson_solver self_consistency 3 # 30
*ERROR*: Illegal fix_modify command (../fix.cpp:135)
There is no problem with all previous "fix_modify" commands.
Then I tried another input file: in.no_atoms_ddm. This time, it runs
without any error.
I wonder if there is any change in the package that is not compatible to
previous examples?
USER-ATC is essentially developed independently and major revisions are
ported to a then current version of LAMMPS occasionally.
as a consequence of that, not all bundled input examples are fully
functions, as experimental functionality may have been removed or disabled.
every feature described in the documentation should work as documented.
for more detailed advice, you may be better off contacting the USER-ATC
developers. packages labeled with USER are generally supported by the
individual developers.
axel.