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Common Data Format for Program Sharing and Integration
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HDF5 a general purpose library and file format for storing scientific data. Also available at http://hdf.ncsa.uiuc.edu/HDF5/Specification of XML can be found at the site http://www.w3.org/XML Holmer, A.: XML IE5 - Programmere's Reference. Wrox Press, Chicago (1999)
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Angeli, C., Bendazzoli, G.L., Borini, S., Cimiraglia, R., Emerson, A., Evangelisti, S., Maynau, D., Monari, A., Rossi, E., Sanchez-Marin, J., Szalay, P.G., Tajti, A.: Int. J. Quant. Chem. 107, 2082-2091 (2007)
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Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information, http://www.emsl.pnl.gov/forms/ basisform.html
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Extensible Computational Chemistry Environment Basis Set Database, Version 02/25/04, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, Washington 99352, USA, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multi-program laboratory operated by Battelle Memorial Institute for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact Karen Schuchardt for further information, http://www.emsl.pnl.gov/forms/ basisform.html
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SWIG is an interface compiler that connects programs written in C and C++ with scripting languages such as Perl, Python, Ruby, and Tcl, http://www.swig.org
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Gnu ncurses is a programming library allowing the programmer to write text user interfaces in a terminal-independent manner
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Gnu ncurses is a programming library allowing the programmer to write text user interfaces in a terminal-independent manner, http://www.gnu.org/ software/ncurses/
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DALTON a molecular electronic structure program, Release 2.0 (2005), http://www.kjiemi.uio.no/software/dalton/dalton.html
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Columbus: Lischka, H, Shepard, R, Shavitt, I, Pitzer, R.M, Dallos, M, Müller, T, Szalay, P.G, Brown, F.B, Ahlrichs, R, Böhm, H.J, Chang, A, Comeau, D.C, Gdanitz, R, Dachsel, H, Ehrhardt, C, Emzerhof, M, Höchtl, P, Irle, S, Kedziora, G, Kovar, T, Parasuk, V, Pepper, M.J.M, Scharf, P, Schiffer, H, Schindler, M, Schüler, M, Seth, M, Stahlberg, E.A, Zhao, J.-G, Yabushita, S, Zhang, Z, Barbatti, M, Matsika, S, Schuurmann, M, Yarkony, D.R, Brozell, S.R, Beck, E.V, Blaudeau, J.-P, COLUMBUS, an ab initio electronic structure program, release 5.9.1 2006
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Monari, A., Bendazzoli, G.L., Evangelisti, S., Angeli, C., Ben Amor, N., Borini, S., Maynau, D., Rossi, E.: J. Chem. Theo. Comp. 3, 477-485 (2007)
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Vetere, V., Monari, A., Bendazzoli, G.L., Evangelisti, S., Paulus, B.: J. Chem. Phys. 128, 024701(1-8) (2008)
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OpenBabel: Guha, R., Howard, M.T., Hutchison, G.R., Murray-Rust, P., Rzepa, H., Steinbeck, C., Wegner, J.K., Willighagen, E.: The Blue Obelisk - Interoperability in Chemical Informatics. J. Chem. Inf. Model 46(3), 991-998 (2006)
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OpenBabel: Guha, R., Howard, M.T., Hutchison, G.R., Murray-Rust, P., Rzepa, H., Steinbeck, C., Wegner, J.K., Willighagen, E.: The Blue Obelisk - Interoperability in Chemical Informatics. J. Chem. Inf. Model 46(3), 991-998 (2006)
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