| 93 |
|
" --rnemdr shell-resolved RNEMD statistics (temperature, \n density, angular velocity)", |
| 94 |
|
" --rnemdrt shell and angle-resolved RNEMD statistics \n (temperature, density, angular velocity)", |
| 95 |
|
" --nitrile electrostatic potential to frequency map based \n on the Cho nitrile fits", |
| 96 |
< |
" -m, --multipole average multipole moment contained within a \n cutoff sphere", |
| 96 |
> |
" -m, --multipole average multipole moments contained within \n cutoff spheres as a function of radius", |
| 97 |
|
0 |
| 98 |
|
}; |
| 99 |
|
|
| 1141 |
|
goto failure; |
| 1142 |
|
|
| 1143 |
|
break; |
| 1144 |
< |
case 'm': /* average multipole moment contained within a cutoff sphere. */ |
| 1144 |
> |
case 'm': /* average multipole moments contained within cutoff spheres as a function of radius. */ |
| 1145 |
|
|
| 1146 |
|
if (args_info->staticProps_group_counter && override) |
| 1147 |
|
reset_group_staticProps (args_info); |