> This looks to be very similar to the AiiDA platform, which also allow remote > job submission/monitoring/retrieval and parsing for a number of mainstream > quantum chemistry codes (QuantumESPRESSO, CP2k etc)... may be worth looking > into.
My understanding has been that AiiDA was focused almost exclusively on solid state codes. While there is certainly some overlap, I do not believe anything similar exists for molecular quantum chemical software. -Geoff --- Prof. Geoffrey Hutchison Department of Chemistry University of Pittsburgh tel: (412) 648-0492 email: geo...@pitt.edu web: http://hutchison.chem.pitt.edu/ ------------------------------------------------------------------------------ Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot _______________________________________________ OpenBabel-Devel mailing list OpenBabel-Devel@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-devel
