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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 1031 by tim, Fri Feb 6 18:58:06 2004 UTC vs.
Revision 1093 by tim, Wed Mar 17 14:22:59 2004 UTC

# Line 70 | Line 70 | class Globals{ (public)
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  
80    char* getMinimizer(void) { return minimizer_name;}
81    int getMinMaxIter(void) {return minimizer_maxiteration;}
82    int getMinWriteFrq(void) {return minimizer_writefrq;}
83 <  int getMinResetFrq(void) {return minimizer_resetfrq;}
83 >  double getMinStepSize(void) {return minimizer_stepsize;}
84    double getMinFTol(void) {return minimizer_ftol;}
85    double getMinGTol(void) {return minimizer_gtol;}
86    double getMinLSTol(void) {return minimizer_ls_tol;}
# Line 107 | Line 111 | class Globals{ (public)
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;}
121    short int haveMinMaxIter(void) {return have_minimizer_maxiteration;}
122    short int haveMinWriteFrq(void) {return have_minimizer_writefrq;}
123 <  short int haveMinResetFrq(void) {return have_minimizer_resetfrq;}
123 >  short int haveMinStepSize(void) {return have_minimizer_stepsize;}
124    short int haveMinFTol(void) {return have_minimizer_ftol;}
125    short int haveMinGTol(void) {return have_minimizer_gtol;}
126    short int haveMinLSTol(void) {return have_minimizer_ls_tol;}
# Line 171 | Line 179 | class Globals{ (public)
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];
189    int minimizer_maxiteration;
190    int minimizer_writefrq;
191 <  int minimizer_resetfrq;
191 >  double minimizer_stepsize;
192    double minimizer_ftol;
193    double minimizer_gtol;
194    double minimizer_ls_tol;
# Line 194 | Line 206 | class Globals{ (public)
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_resetfrq;
212 >  short int have_minimizer_writefrq, have_minimizer_stepsize;
213    short int have_minimizer_ftol, have_minimizer_gtol;
214    short int have_minimizer_ls_tol, have_minimizer_ls_maxiteration;
215   };

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