baseURL = "localhost:8080" languageCode = "en-us" DateForm = "12-30-2006" title = "QUEST: a database of highly-accurate excitation energies" DefaultContentLanguage = "en" theme = "beautifulhugo" [Params] # homeTitle = "" subtitle = "QUantum Excited STates database" [[Params.bigimg]] src = "data/publis/10/1021/acs/jctc/8b00406/picture.jpeg" desc = "A mountaineering strategy to excited states" [markup] [markup.goldmark] [markup.goldmark.renderer] unsafe = true [Author] name = "M. VĂ©ril" email = "mveril@irsamc.ups-tlse.fr" # github = "lcpq" twitter = "LCPQ_UMR5626" # reddit = "username" # linkedin = "username" # xing = "username" # stackoverflow = "users/XXXXXXX/username" # snapchat = "username" # instagram = "username" # youtube = "channel/UC3a7Yakg9gk36G3HKDIFaYw" # soundcloud = "username" # spotify = "username" # bandcamp = "username" # itchio = "username" # keybase = "username" [[menu.main]] name = "Home" url = "" weight = 1 [[menu.main]] name = "Subsets" url = "subsets" weight = 3 [[menu.main]] name = "Dataset" url = "dataset" weight = 4 [[menu.main]] name = "Publications" url = "publications" weight = 5 [[menu.main]] name = "About" url = "about" weight = 6 [[menu.main]] name = "Funding" url = "funding" weight = 7 [[menu.main]] identifier = "external" name = "External links" weight = 8 [[menu.main]] parent="external" name = "Laboratoire de Chimie et Physique Quantique" url = "http://www.lcpq.ups-tlse.fr" weight = 1 [[menu.main]] parent="external" name = "CIESAM" url = "http://www.sciences.univ-nantes.fr/CEISAM" weight = 2 [[menu.main]] parent="external" name = "EMSL Basis set" url = "https://www.basissetexchange.org" weight = 3 [[menu.main]] parent="external" name = "Computational Chemistry Comparison and Benchmark Database" url = "https://cccbdb.nist.gov" weight = 4 [[menu.main]] parent="external" name = "Quantum Package" url = "https://quantumpackage.github.io/qp2" weight = 5 [[menu.main]] parent="external" name = "Dalton" url = "https://daltonprogram.org" weight = 6 [[menu.main]] parent="external" name = "MRCC" url = "https://gaussian.com" weight = 7 [[menu.main]] parent="external" name = "Gaussian" url = "https://gaussian.com" weight = 8 [[menu.main]] parent="external" name = "Q-Chem" url = "https://q-chem.com" weight = 9 [[menu.main]] parent="external" name = "Psi4" url = "http://www.psicode.org" weight = 10 [[menu.main]] parent="external" name = "Turbomole" url = "https://www.turbomole.org" weight = 11 [[menu.main]] parent="external" name = "CFOUR" url = "http://www.cfour.de" weight = 12 [[menu.main]] parent="external" name = "Molpro" url = "https://www.molpro.net" weight = 13