| 55 |
|
double getBoxZ( void ) { return box_z; } |
| 56 |
|
double getSampleTime( void ) { return sample_time; } |
| 57 |
|
double getStatusTime( void ) { return status_time; } |
| 58 |
+ |
double getResetTime( void ) { return resetTime; } |
| 59 |
|
double getThermalTime( void ) { return thermal_time; } |
| 60 |
|
double getDielectric( void ) { return dielectric; } |
| 61 |
|
double getECR( void) { return ecr; } |
| 62 |
|
double getEST( void) { return est; } |
| 63 |
|
int getTempSet( void ) { return tempSet; } |
| 64 |
+ |
int getUseInitTime( void ) { return useInitTime; } |
| 65 |
|
int getPBC( void ) { return usePBC;} |
| 66 |
|
int getUseRF( void ) { return useRF;} |
| 67 |
|
char* getMixingRule( void) { return mixingRule;} |
| 79 |
|
short int haveBoxY( void ) { return have_box_y; } |
| 80 |
|
short int haveBoxZ( void ) { return have_box_z; } |
| 81 |
|
short int haveSampleTime( void ) { return have_sample_time; } |
| 82 |
+ |
short int haveResetTime( void ) { return have_reset_time; } |
| 83 |
|
short int haveStatusTime( void ) { return have_status_time; } |
| 84 |
|
short int haveThermalTime( void ) { return have_thermal_time; } |
| 85 |
|
short int haveECR( void ) { return have_ecr; } |
| 101 |
|
|
| 102 |
|
private: |
| 103 |
|
|
| 104 |
< |
static const int hash_size = 23; |
| 105 |
< |
static const int hash_shift = 4; |
| 104 |
> |
int hash_size; |
| 105 |
> |
int hash_shift; |
| 106 |
|
int hash( char* text ); |
| 107 |
|
void addHash( char* text, int token ); |
| 108 |
|
LinkedCommand** command_table; |
| 132 |
|
double box_x, box_y, box_z; |
| 133 |
|
double sample_time; |
| 134 |
|
double status_time; |
| 135 |
+ |
double resetTime; |
| 136 |
|
double thermal_time; |
| 137 |
|
double ecr; |
| 138 |
|
double est; |
| 139 |
|
double dielectric; |
| 140 |
|
int tempSet; |
| 141 |
+ |
int useInitTime; |
| 142 |
|
int usePBC; |
| 143 |
|
int useRF; |
| 144 |
|
double q_mass; |
| 161 |
|
short int have_tau_thermostat, have_tau_barostat; |
| 162 |
|
short int have_zcons_time, have_zConstraints, have_n_zConstraints; |
| 163 |
|
short int have_zcons_tol, have_seed; |
| 164 |
< |
short int have_zcons_force_policy; |
| 164 |
> |
short int have_zcons_force_policy, have_reset_time; |
| 165 |
|
|
| 166 |
|
}; |
| 167 |
|
|