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 |
+ |
bool getPrintPressureTensor(void) {return print_pressure_tensor;} |
144 |
+ |
|
145 |
|
short int haveDt( void ) { return have_dt; } |
146 |
|
short int haveRunTime( void ) { return have_run_time; } |
147 |
|
short int haveEnsemble( void ) { return have_ensemble; } |
189 |
|
short int haveDistSpringConst(void) { return have_dist_spring_constant; } |
190 |
|
short int haveThetaSpringConst(void) { return have_theta_spring_constant; } |
191 |
|
short int haveOmegaSpringConst(void) { return have_omega_spring_constant; } |
192 |
+ |
short int haveSurfaceTension(void) { return have_surface_tension; } |
193 |
+ |
short int havePrintPressureTensor(void) {return have_print_pressure_tensor;} |
194 |
+ |
|
195 |
|
/* other accessors */ |
196 |
|
Component** getComponents( void ) { return components; } |
197 |
|
ZconStamp** getZconStamp( void ) { return zConstraints; } |
267 |
|
double therm_int_dist_spring; |
268 |
|
double therm_int_theta_spring; |
269 |
|
double therm_int_omega_spring; |
270 |
+ |
double surface_tension; |
271 |
+ |
bool print_pressure_tensor; |
272 |
+ |
|
273 |
|
//required arguments |
274 |
|
short int have_force_field, have_n_components, have_target_temp; |
275 |
|
short int have_target_pressure, have_ensemble, have_dt, have_run_time; |
296 |
|
short int have_dist_spring_constant; |
297 |
|
short int have_theta_spring_constant; |
298 |
|
short int have_omega_spring_constant; |
299 |
+ |
short int have_surface_tension; |
300 |
+ |
short int have_print_pressure_tensor; |
301 |
|
}; |
302 |
|
|
303 |
|
#endif |