| 8 |
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# Options |
| 9 |
|
|
| 10 |
|
option "output" o "Output file name" string yes |
| 11 |
– |
option "latticetype" - "Lattice type string. Valid types are fcc,hcp,bcc and hcp-water." string default="fcc" no |
| 11 |
|
option "density" - "density (g/cm^3)" double yes |
| 12 |
|
option "nx" - "number of unit cells in x" int yes |
| 13 |
|
option "ny" - "number of unit cells in y" int yes |
| 14 |
|
option "nz" - "number of unit cells in z" int yes |
| 15 |
|
option "molFraction" - "(Default) Builds a multi-component random mixed nanoparticle. Mole Fraction must be specified for each componet > 1 in MD file." double no multiple |
| 17 |
– |
#option "a1" - "lattice spacing in Angstroms h - for cubic lattice, specify this parameter" double no |
| 18 |
– |
#option "a2" - "lattice spacing in Angstroms k" double no |
| 19 |
– |
#option "a3" - "lattice spacing in Angstroms l" double no |
