203 |
|
} else if (args_info.rp2_given){ |
204 |
|
analyser = new RippleOP(info, dumpFileName, sele1, sele2); |
205 |
|
} else if (args_info.bo_given){ |
206 |
< |
if (args_info.rcut_given && args_info.LegendreL_given) { |
206 |
> |
if (args_info.rcut_given) { |
207 |
|
analyser = new BondOrderParameter(info, dumpFileName, sele1, |
208 |
|
args_info.rcut_arg, |
209 |
– |
args_info.LegendreL_arg, |
209 |
|
args_info.nbins_arg); |
210 |
|
} else { |
211 |
|
sprintf( painCave.errMsg, |
212 |
< |
"Both the cutoff radius (rcut) and LegendreL must be specified when calculating Bond Order Parameters"); |
212 |
> |
"A cutoff radius (rcut) must be specified when calculating Bond Order Parameters"); |
213 |
|
painCave.severity = OOPSE_ERROR; |
214 |
|
painCave.isFatal = 1; |
215 |
|
simError(); |