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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 1181 by chrisfen, Thu May 20 20:27:26 2004 UTC vs.
Revision 1188 by chrisfen, Sat May 22 18:17:05 2004 UTC

# Line 81 | Line 81 | class Globals{ (public)
81    double getMinGTol(void)           { return minimizer_gtol; }
82    double getMinLSTol(void)          { return minimizer_ls_tol; }
83    int    getMinLSMaxIter(void)      { return minimizer_ls_maxiteration; }
84 <  double getThermIntLambda(void) {return thermodynamic_integration_lambda;}
85 <  double getThermIntK(void) {return thermodynamic_integration_k;}
84 >  int    getUseThermInt(void)       { return useThermInt; }
85 >  double getThermIntLambda(void)    { return thermodynamic_integration_lambda; }
86 >  double getThermIntK(void)         { return thermodynamic_integration_k; }
87  
88    short int haveInitialConfig( void ) { return have_initial_config; }
89    short int haveFinalConfig( void )   { return have_final_config; }
# Line 120 | Line 121 | class Globals{ (public)
121    short int haveMinGTol(void)         { return have_minimizer_gtol; }
122    short int haveMinLSTol(void)        { return have_minimizer_ls_tol; }
123    short int haveMinLSMaxIter(void)    { return have_minimizer_ls_maxiteration;}
124 <  short int haveThermIntLambda(void) {return have_thermodynamic_integration_lambda;}
125 <  short int haveThermIntK(void) {return have_thermodynamic_integration_k;}
124 >  short int haveThermIntLambda(void)  { return have_thermodynamic_integration_lambda; }
125 >  short int haveThermIntK(void)       { return have_thermodynamic_integration_k; }
126  
127    /* other accessors */
128    Component** getComponents( void )   { return components; }
# Line 190 | Line 191 | class Globals{ (public)
191    double minimizer_gtol;
192    double minimizer_ls_tol;
193    int minimizer_ls_maxiteration;
194 +  int useThermInt;
195    double thermodynamic_integration_lambda;
196    double thermodynamic_integration_k;
197  

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