143 |
|
bool getPrintPressureTensor(void) { return print_pressure_tensor;} |
144 |
|
bool getUseUndampedWolf(void) { return useUndampedWolf; } |
145 |
|
bool getUseDampedWolf(void) { return useDampedWolf; } |
146 |
+ |
char* getCutoffPolicy(void) { return cutoffPolicy; } |
147 |
|
|
148 |
|
short int haveDt( void ) { return have_dt; } |
149 |
|
short int haveRunTime( void ) { return have_run_time; } |
187 |
|
short int haveMinLSMaxIter(void) { return have_minimizer_ls_maxiteration;} |
188 |
|
short int haveThermIntLambda(void) { return have_thermodynamic_integration_lambda; } |
189 |
|
short int haveThermIntK(void) { return have_thermodynamic_integration_k; } |
190 |
< |
short int haveForceFieldVariant(void) { return have_forcefield_variant; } |
190 |
> |
short int haveForceFieldVariant(void) { return have_forcefield_variant; } |
191 |
|
short int haveForceFieldFileName(void) { return have_forcefield_filename; } |
192 |
< |
short int haveDistSpringConst(void) { return have_dist_spring_constant; } |
193 |
< |
short int haveThetaSpringConst(void) { return have_theta_spring_constant; } |
194 |
< |
short int haveOmegaSpringConst(void) { return have_omega_spring_constant; } |
195 |
< |
short int haveSurfaceTension(void) { return have_surface_tension; } |
192 |
> |
short int haveDistSpringConst(void) { return have_dist_spring_constant; } |
193 |
> |
short int haveThetaSpringConst(void) { return have_theta_spring_constant; } |
194 |
> |
short int haveOmegaSpringConst(void) { return have_omega_spring_constant; } |
195 |
> |
short int haveSurfaceTension(void) { return have_surface_tension; } |
196 |
|
short int havePrintPressureTensor(void) {return have_print_pressure_tensor;} |
197 |
< |
|
197 |
> |
short int haveCutoffPolicy(void) { return have_cutoff_policy; } |
198 |
> |
|
199 |
|
/* other accessors */ |
200 |
|
Component** getComponents( void ) { return components; } |
201 |
|
ZconStamp** getZconStamp( void ) { return zConstraints; } |
275 |
|
bool print_pressure_tensor; |
276 |
|
bool useUndampedWolf; |
277 |
|
bool useDampedWolf; |
278 |
+ |
char cutoffPolicy[100]; |
279 |
|
|
280 |
|
//required arguments |
281 |
|
short int have_force_field, have_n_components, have_target_temp; |
305 |
|
short int have_omega_spring_constant; |
306 |
|
short int have_surface_tension; |
307 |
|
short int have_print_pressure_tensor; |
308 |
+ |
short int have_cutoff_policy; |
309 |
|
}; |
310 |
|
|
311 |
|
#endif |