| 87 |
|
double getThermIntK(void) { return thermodynamic_integration_k; } |
| 88 |
|
char* getForceFieldVariant( void ) { return forcefield_variant; } |
| 89 |
|
|
| 90 |
+ |
short int haveDt( void ) { return have_dt; } |
| 91 |
+ |
short int haveRunTime( void ) { return have_run_time; } |
| 92 |
+ |
short int haveEnsemble( void ) { return have_ensemble; } |
| 93 |
+ |
short int haveTargetTemp( void ) { return have_target_temp; } |
| 94 |
|
short int haveInitialConfig( void ) { return have_initial_config; } |
| 95 |
|
short int haveFinalConfig( void ) { return have_final_config; } |
| 96 |
|
short int haveNMol( void ) { return have_n_mol; } |
