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gezelter |
1860 |
# 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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# invoke with: |
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# gengetopt < icosahedralBuilder.ggo --file-name=icosahedralBuilderCmd --unamed-opts |
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package "icosahedralBuilder" |
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version "1.0" |
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purpose "Builds icosahedral nanoparticles and outputs an OpenMD startup file" |
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# Options |
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option "output" o "Output file name" string yes |
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gezelter |
1862 |
option "shells" n "Nanoparticle shells" int yes |
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gezelter |
1860 |
option "latticeConstant" d "Lattice spacing in Angstroms for cubic lattice." double no |
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gezelter |
1862 |
option "columnAtoms" c "Number of atoms along central column (Decahedron only)" int no |
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option "twinAtoms" t "Number of atoms along twin boundary (Decahedron only)" int no |
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option "truncatedPlanes" p "Number of truncated planes (Curling-stone Decahedron only)" int no |
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defgroup "clusterShape" groupdesc=" a cluster shape is required" yes |
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groupoption "ico" - "Create an Icosahedral cluster" group="clusterShape" |
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groupoption "deca" - "Create a regualar Decahedral cluster" group="clusterShape" |
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groupoption "ino" - "Create an Ino Decahedral cluster" group="clusterShape" |
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groupoption "marks" - "Create a Marks Decahedral cluster" group="clusterShape" |
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groupoption "stone" - "Create a Curling-stone Decahedral cluster" group="clusterShape" |
