108 |
|
double getDielectric( void ) { return dielectric; } |
109 |
|
double getRcut( void ) { return rcut; } |
110 |
|
double getRsw( void ) { return rsw; } |
111 |
+ |
double getSkinThickness(void) { return skinThickness;} |
112 |
|
int getTempSet( void ) { return tempSet; } |
113 |
|
int getUseInitTime( void ) { return useInitTime; } |
114 |
|
int getUseInitXSstate( void ) { return useInitXSstate; } |
199 |
|
short int haveDampingAlpha(void) { return have_damping_alpha; } |
200 |
|
short int haveCutoffPolicy(void) { return have_cutoff_policy; } |
201 |
|
short int haveCompressDumpfile(void) { return have_compress_dumpfile; } |
202 |
+ |
short int haveSkinThickness(void) {return have_skin_thickness; } |
203 |
|
|
204 |
|
/* other accessors */ |
205 |
|
Component** getComponents( void ) { return components; } |
242 |
|
double thermal_time; |
243 |
|
double rcut; |
244 |
|
double rsw; |
245 |
+ |
double skinThickness; |
246 |
|
double dielectric; |
247 |
|
int tempSet; |
248 |
|
int useInitTime; |
315 |
|
short int have_damping_alpha; |
316 |
|
short int have_cutoff_policy; |
317 |
|
short int have_compress_dumpfile; |
318 |
+ |
short int have_skin_thickness; |
319 |
|
}; |
320 |
|
|
321 |
|
#endif |