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# Input file for gengetopt --generates cmdline.c and cmdline.h |
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# for parsing command line arguments useing getopt and getoptlong. |
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# gengetopt is available from: |
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# http://www.gnu.org/software/gengetopt/gengetopt.html |
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package "Hydro" |
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version "1.0" |
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gezelter |
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purpose |
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" |
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gezelter |
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+-----------------------------------------------------------------------+ |
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| ____ __ ___ ____ | |
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| / __ \\____ ___ ____ / |/ // __ \\ The Open Molecular Dynamics | |
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| / / / / __ \\/ _ \\/ __ \\ / /|_/ // / / / Engine (formerly OOPSE). | |
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| / /_/ / /_/ / __/ / / // / / // /_/ / | |
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| \\____/ .___/\\___/_/ /_//_/ /_//_____/ Copyright 2004-2009 by the | |
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| /_/ University of Notre Dame. | |
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| http://www.openmd.net | |
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| OpenMD is an OpenScience project. All source code is available for | |
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| any use whatsoever under a BSD-style license. | |
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| Support OpenScience! If you use OpenMD or its source code in your | |
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| research, please cite the appropriate papers when you publish your | |
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| work. Good starting points are: | |
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| [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). | |
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| [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). | |
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| [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). | |
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gezelter |
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| [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | |
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gezelter |
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+-----------------------------------------------------------------------+" |
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tim |
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gezelter |
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tim |
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# Options |
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xsun |
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option "input" i "input MetaData (md) file" string typestr="filename" yes |
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tim |
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option "output" o "output file prefix" string default="hydro" no |
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xsun |
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option "model" - "hydrodynamics model (supports RoughShell and BeadModel)" string yes |
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tim |
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option "beads" b "generate the beads only, hydrodynamics will be performed" flag off |
