141 |
|
double zcons_time; |
142 |
|
double zcons_tol; |
143 |
|
char zconsForcePolicy[100]; |
144 |
+ |
int seed; |
145 |
|
|
146 |
+ |
|
147 |
|
//required arguments |
148 |
|
short int have_force_field, have_n_components, have_target_temp; |
149 |
|
short int have_target_pressure, have_ensemble, have_dt, have_run_time; |
154 |
|
short int have_sample_time, have_status_time, have_ecr, have_dielectric; |
155 |
|
short int have_tempSet, have_thermal_time, have_est, have_q_mass; |
156 |
|
short int have_tau_thermostat, have_tau_barostat; |
157 |
< |
short int have_zcons_time, have_zConstraints, have_n_zConstraints, have_zcons_tol; |
157 |
> |
short int have_zcons_time, have_zConstraints, have_n_zConstraints; |
158 |
> |
short int have_zcons_tol, have_seed; |
159 |
|
short int have_zcons_force_policy; |
160 |
|
|
161 |
|
}; |