> It cannot at this time - I have been looking into LAMMPS, and how we > might produce input for MD codes in general but we don't have anything > working yet (that I am aware of at least).
That's not quite right. There were some patches for Avogadro v1 to write simple LAMMPS input. The main problem has been that people have requested the feature, but not really outlined what they would want a LAMMPS generator to do. (There are just way too many LAMMPS options.) Arun, can you explain a bit what you do with LAMMPS and what you might want an Avogadro interface to do? Perhaps if we can identify key features that people use a lot, we can do something similar to the quantum codes. Thanks! -Geoff P.S. There are a number of LAMMPS users here at Pitt and Carnegie Mellon, but no one has been able to give me more than just "oh, I'd like one please." A few paragraphs or a sketch of what an interface would do is extremely helpful. --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Open source business process management suite built on Java and Eclipse Turn processes into business applications with Bonita BPM Community Edition Quickly connect people, data, and systems into organized workflows Winner of BOSSIE, CODIE, OW2 and Gartner awards http://p.sf.net/sfu/Bonitasoft _______________________________________________ Avogadro-Discuss mailing list Avogadro-Discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/avogadro-discuss
