42 |
|
double getStatusTime( void ) { return status_time; } |
43 |
|
double getThermalTime( void ) { return thermal_time; } |
44 |
|
double getDielectric( void ) { return dielectric; } |
45 |
< |
double getRRF( void) { return rRF; } |
45 |
> |
double getECR( void) { return ecr; } |
46 |
> |
double getEST( void) { return est; } |
47 |
|
int getTempSet( void ) { return tempSet; } |
48 |
|
int getPBC( void ) { return usePBC;} |
49 |
+ |
int getUseRF( void ) { return useRF;} |
50 |
|
char* getMixingRule( void) { return mixingRule;} |
51 |
|
|
52 |
|
short int haveInitialConfig( void ) { return have_initial_config; } |
60 |
|
short int haveSampleTime( void ) { return have_sample_time; } |
61 |
|
short int haveStatusTime( void ) { return have_status_time; } |
62 |
|
short int haveThermalTime( void ) { return have_thermal_time; } |
63 |
< |
short int haveRRF( void ) { return have_rrf; } |
63 |
> |
short int haveECR( void ) { return have_ecr; } |
64 |
> |
short int haveEST( void ) { return have_est; } |
65 |
|
short int haveDielectric( void ) { return have_dielectric; } |
66 |
|
short int haveTempSet( void ) { return have_tempSet; } |
67 |
|
|
96 |
|
double sample_time; |
97 |
|
double status_time; |
98 |
|
double thermal_time; |
99 |
< |
double rRF; |
99 |
> |
double ecr; |
100 |
> |
double est; |
101 |
|
double dielectric; |
102 |
|
int tempSet; |
103 |
|
int usePBC; |
104 |
+ |
int useRF; |
105 |
|
|
106 |
|
//required arguments |
107 |
|
short int have_force_field, have_n_components, have_target_temp; |
110 |
|
// optional arguments |
111 |
|
short int have_initial_config, have_final_config, have_n_mol; |
112 |
|
short int have_density, have_box, have_box_x, have_box_y, have_box_z; |
113 |
< |
short int have_sample_time, have_status_time, have_rrf, have_dielectric; |
114 |
< |
short int have_tempSet, have_thermal_time; |
113 |
> |
short int have_sample_time, have_status_time, have_ecr, have_dielectric; |
114 |
> |
short int have_tempSet, have_thermal_time, have_est; |
115 |
|
|
116 |
|
|
117 |
|
}; |