| 132 |
|
int getMinLSMaxIter(void) { return minimizer_ls_maxiteration; } |
| 133 |
|
int getUseSolidThermInt(void) { return useSolidThermInt; } |
| 134 |
|
int getUseLiquidThermInt(void) { return useLiquidThermInt; } |
| 135 |
< |
double getThermIntLambda(void) { return thermodynamic_integration_lambda; } |
| 135 |
> |
double getThermIntLambda(void) { return thermodynamic_integration_lambda; } |
| 136 |
|
double getThermIntK(void) { return thermodynamic_integration_k; } |
| 137 |
|
char* getForceFieldVariant( void ) { return forcefield_variant; } |
| 138 |
< |
char* getForceFieldFileName() { return forcefield_filename;} |
| 138 |
> |
char* getForceFieldFileName() { return forcefield_filename; } |
| 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;} |
| 142 |
> |
double getSurfaceTension(void) { return surface_tension; } |
| 143 |
> |
bool getPrintPressureTensor(void) { return print_pressure_tensor;} |
| 144 |
> |
bool getUseUndampedWolf(void) { return useUndampedWolf; } |
| 145 |
> |
bool getUseDampedWolf(void) { return useDampedWolf; } |
| 146 |
|
|
| 147 |
|
short int haveDt( void ) { return have_dt; } |
| 148 |
|
short int haveRunTime( void ) { return have_run_time; } |
| 271 |
|
double therm_int_omega_spring; |
| 272 |
|
double surface_tension; |
| 273 |
|
bool print_pressure_tensor; |
| 274 |
+ |
bool useUndampedWolf; |
| 275 |
+ |
bool useDampedWolf; |
| 276 |
|
|
| 277 |
|
//required arguments |
| 278 |
|
short int have_force_field, have_n_components, have_target_temp; |
