139 |
|
double getDistSpringConst(void) { return therm_int_dist_spring; } |
140 |
|
double getThetaSpringConst(void) { return therm_int_theta_spring; } |
141 |
|
double getOmegaSpringConst(void) { return therm_int_omega_spring; } |
142 |
+ |
double getSurfaceTension(void) {return surface_tension; } |
143 |
+ |
|
144 |
|
short int haveDt( void ) { return have_dt; } |
145 |
|
short int haveRunTime( void ) { return have_run_time; } |
146 |
|
short int haveEnsemble( void ) { return have_ensemble; } |
188 |
|
short int haveDistSpringConst(void) { return have_dist_spring_constant; } |
189 |
|
short int haveThetaSpringConst(void) { return have_theta_spring_constant; } |
190 |
|
short int haveOmegaSpringConst(void) { return have_omega_spring_constant; } |
191 |
+ |
short int haveSurfaceTension(void) { return have_surface_tension; } |
192 |
|
/* other accessors */ |
193 |
|
Component** getComponents( void ) { return components; } |
194 |
|
ZconStamp** getZconStamp( void ) { return zConstraints; } |
264 |
|
double therm_int_dist_spring; |
265 |
|
double therm_int_theta_spring; |
266 |
|
double therm_int_omega_spring; |
267 |
+ |
double surface_tension; |
268 |
+ |
|
269 |
|
//required arguments |
270 |
|
short int have_force_field, have_n_components, have_target_temp; |
271 |
|
short int have_target_pressure, have_ensemble, have_dt, have_run_time; |
292 |
|
short int have_dist_spring_constant; |
293 |
|
short int have_theta_spring_constant; |
294 |
|
short int have_omega_spring_constant; |
295 |
+ |
short int have_surface_tension; |
296 |
|
}; |
297 |
|
|
298 |
|
#endif |