I reinstalled lamps on a newly built Mac, the 22August2018 version. In the past I used the compute voronoi command and it worked OK. I tried to run the same file I used in the past and now I am getting and error message:
ERROR: Compute voronoi/atom occupation requires an atom map, see atom_modify (src/VORONOI/compute_voronoi_atom.cpp:134)
Last command: compute voro all voronoi/atom occupation
I checked the on-line manual (its date is October 18, 2108) and according to that that line above should work (as it did in previous versions of lammps). Can anybody tell me what is wrong?
I reinstalled lamps on a newly built Mac, the 22August2018 version. In the past I used the compute voronoi command and it worked OK. I tried to run the same file I used in the past and now I am getting and error message:
ERROR: Compute voronoi/atom occupation requires an atom map, see atom_modify (src/VORONOI/compute_voronoi_atom.cpp:134)
Last command: compute voro all voronoi/atom occupation
I checked the on-line manual (its date is October 18, 2108) and according to that that line above should work (as it did in previous versions of lammps). Can anybody tell me what is wrong?
this is not something that has to be changed in the compute voro/atom command, but globally with atom_modify.
I,e. add an atom_modify map yes command to your script near the top. Not sure why it would
have worked w/out this in the past, unless you were running a different kind of system
that turned on an atom map for a different reason.
