| 1 |
# Input file for gengetopt --generates cmdline.c and cmdline.h |
| 2 |
# for parsing command line arguments useing getopt and getoptlong. |
| 3 |
# gengetopt is available from: |
| 4 |
# http://www.gnu.org/software/gengetopt/gengetopt.html |
| 5 |
# invoke with: |
| 6 |
# gengetopt < icosahedralBuilder.ggo --file-name=icosahedralBuilderCmd --unamed-opts |
| 7 |
|
| 8 |
package "icosahedralBuilder" |
| 9 |
version "1.0" |
| 10 |
purpose "Builds icosahedral nanoparticles and outputs an OpenMD startup file" |
| 11 |
|
| 12 |
# Options |
| 13 |
|
| 14 |
option "output" o "Output file name" string yes |
| 15 |
option "shells" n "Nanoparticle shells" int yes |
| 16 |
option "latticeConstant" d "Lattice spacing in Angstroms for cubic lattice." double no |
| 17 |
option "columnAtoms" c "Number of atoms along central column (Decahedron only)" int no |
| 18 |
option "twinAtoms" t "Number of atoms along twin boundary (Decahedron only)" int no |
| 19 |
option "truncatedPlanes" p "Number of truncated planes (Curling-stone Decahedron only)" int no |
| 20 |
defgroup "clusterShape" groupdesc=" a cluster shape is required" yes |
| 21 |
groupoption "ico" - "Create an Icosahedral cluster" group="clusterShape" |
| 22 |
groupoption "deca" - "Create a regualar Decahedral cluster" group="clusterShape" |
| 23 |
groupoption "ino" - "Create an Ino Decahedral cluster" group="clusterShape" |
| 24 |
groupoption "marks" - "Create a Marks Decahedral cluster" group="clusterShape" |
| 25 |
groupoption "stone" - "Create a Curling-stone Decahedral cluster" group="clusterShape" |
