On Mon, Oct 31, 2022 at 2:43 PM Sanjeet Singh <[email protected]> wrote: > > Hello Christoph, > > I have some queries regarding the LAMMPS data reader in VOTCA. > > When we run csg_dump command we see something like following on the screen: > > WARNING: The votca lammps data reader is only able to read lammps files > formatted in the following styles: > angle > atom > bond > full > molecule > > These styles use the following formats in the atom block: > atom-ID molecule-ID atom-type charge x y z > atom-ID molecule-ID atom-type charge x y z nx ny nz > atom-ID molecule-ID atom-type x y z > atom-ID molecule-ID atom-type x y z nx ny nz > atom-ID atom-type x y z > atom-ID atom-type x y z nx ny nz > > Does it mean that I cannot use the following file formats in the atom block: > > atom-ID molecule-ID atom-type charge xs ys zs > > atom-ID molecule-ID atom-type charge xu yu zu > > Or is it only for the csg_dump command? That is for all csg_* tools! They all use the same reader code.
Christoph > > Thank you. > > Sanjeet > > -- > Join us on Slack: https://join.slack.com/t/votca/signup > --- > You received this message because you are subscribed to the Google Groups > "votca" group. > To unsubscribe from this group and stop receiving emails from it, send an > email to [email protected]. > To view this discussion on the web visit > https://groups.google.com/d/msgid/votca/a86ca264-0d6e-4ccf-a7b8-1dd84cf865e2n%40googlegroups.com. -- Christoph Junghans Web: http://www.compphys.de -- Join us on Slack: https://join.slack.com/t/votca/signup --- You received this message because you are subscribed to the Google Groups "votca" group. To unsubscribe from this group and stop receiving emails from it, send an email to [email protected]. To view this discussion on the web visit https://groups.google.com/d/msgid/votca/CAHG27e78wi-ixa7jAGHSXADrM7BY4ANKYoMCiFy9zuYu%2BGJv2A%40mail.gmail.com.
