| 65 |
|
char* getMixingRule( void) { return mixingRule;} |
| 66 |
|
double getZconsTime(void) { return zcons_time;} |
| 67 |
|
double getZconsTol(void) { return zcons_tol;} |
| 68 |
+ |
char* getZconsForcePolicy(void) { return zconsForcePolicy;} |
| 69 |
+ |
int getSeed(void) { return seed;} |
| 70 |
|
|
| 71 |
|
short int haveInitialConfig( void ) { return have_initial_config; } |
| 72 |
|
short int haveFinalConfig( void ) { return have_final_config; } |
| 90 |
|
short int haveZconstraintTime(void) { return have_zcons_time; } |
| 91 |
|
short int haveZconstraints( void ) { return have_zConstraints;} |
| 92 |
|
short int haveZconsTol(void) {return have_zcons_tol;} |
| 93 |
< |
|
| 93 |
> |
short int haveZconsForcePolicy(void) { return have_zcons_force_policy;} |
| 94 |
> |
short int haveSeed(void) { return have_seed;} |
| 95 |
|
/* other accessors */ |
| 96 |
|
Component** getComponents( void ) { return components; } |
| 97 |
|
ZconStamp** getZconStamp( void ) { return zConstraints; } |
| 141 |
|
double tau_barostat; |
| 142 |
|
double zcons_time; |
| 143 |
|
double zcons_tol; |
| 144 |
+ |
char zconsForcePolicy[100]; |
| 145 |
+ |
int seed; |
| 146 |
|
|
| 147 |
|
//required arguments |
| 148 |
|
short int have_force_field, have_n_components, have_target_temp; |
| 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 |
|
}; |
| 162 |
|
|
