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 |
|
|