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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 < StaticProps.ggo --file-name=StaticPropsCmd --unamed-opts |
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|
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package "StaticProps" |
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version "1.00" |
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|
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option "sele3" - "select the third stuntdouble set" string typestr="selection script" no |
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option "refsele" - "select reference (use and only use with --gxyz)" string typestr="selection script" no |
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option "comsele" - "select stunt doubles for center-of-mass reference point" string typestr="selection script" no |
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option "seleoffset" - "global index offset for a second object (used to define a vector between sites in molecule)" int no |
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option "molname" - "molecule name" string no |
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option "begin" - "begin internal index" int no |
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option "end" - "end internal index" int no |
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groupoption "rho_r" - "rho of R" group="staticProps" |
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groupoption "angle_r" - "angle of R" group="staticProps" |
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groupoption "hullvol" - "hull volume of nanoparticle" group="staticProps" |
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< |
groupoption "rodlength" - "length of nanorod" group="staticProps" |
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< |
groupoption "tet_param" Q "tetrahedrality order parameter" group="staticProps" |
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> |
groupoption "rodlength" - "length of nanorod" group="staticProps" |
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> |
groupoption "tet_param" Q "tetrahedrality order parameter (Qk)" group="staticProps" |
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groupoption "tet_param_z" - "spatially-resolved tetrahedrality order parameter Qk(z)" group="staticProps" |
