| 70 |
|
double getZconsTime(void) { return zcons_time;} |
| 71 |
|
double getZconsTol(void) { return zcons_tol;} |
| 72 |
|
char* getZconsForcePolicy(void) { return zconsForcePolicy;} |
| 73 |
+ |
double getZconsGap(void) {return zcons_gap;} |
| 74 |
+ |
double getZconsFixtime(void) {return zcons_fixtime;} |
| 75 |
+ |
int getZconsUsingSMD(void) {return zcons_using_smd;} |
| 76 |
+ |
|
| 77 |
|
int getSeed(void) { return seed;} |
| 78 |
|
double getLJrcut(void) { return LJrcut;} |
| 79 |
|
|
| 111 |
|
short int haveZconstraints( void ) { return have_zConstraints;} |
| 112 |
|
short int haveZconsTol(void) { return have_zcons_tol;} |
| 113 |
|
short int haveZconsForcePolicy(void){ return have_zcons_force_policy;} |
| 114 |
+ |
short int haveZConsGap(void) {return have_zcons_gap;} |
| 115 |
+ |
short int haveZConsFixTime(void) {return have_zcons_fixtime;} |
| 116 |
+ |
short int haveZConsUsingSMD(void) {return have_zcons_using_smd;} |
| 117 |
+ |
|
| 118 |
|
short int haveSeed(void) { return have_seed;} |
| 119 |
|
short int haveLJrcut(void) { return have_ljrcut;} |
| 120 |
|
short int haveMinimizer(void) { return have_minimizer;} |
| 179 |
|
double zcons_time; |
| 180 |
|
double zcons_tol; |
| 181 |
|
char zconsForcePolicy[100]; |
| 182 |
+ |
double zcons_gap; |
| 183 |
+ |
double zcons_fixtime; |
| 184 |
+ |
int zcons_using_smd; |
| 185 |
+ |
|
| 186 |
|
int seed; |
| 187 |
|
double LJrcut; |
| 188 |
|
char minimizer_name[100]; |
| 206 |
|
short int have_zcons_time, have_zConstraints, have_n_zConstraints; |
| 207 |
|
short int have_zcons_tol, have_seed, have_ljrcut; |
| 208 |
|
short int have_zcons_force_policy, have_reset_time; |
| 209 |
+ |
short int have_zcons_gap, have_zcons_fixtime; |
| 210 |
+ |
short int have_zcons_using_smd; |
| 211 |
|
short int have_minimizer, have_minimizer_maxiteration; |
| 212 |
|
short int have_minimizer_writefrq, have_minimizer_stepsize; |
| 213 |
|
short int have_minimizer_ftol, have_minimizer_gtol; |
