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root/group/trunk/OOPSE-2.0/src/io/Globals.hpp
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Comparing trunk/OOPSE-2.0/src/io/Globals.hpp (file contents):
Revision 2285 by gezelter, Wed Sep 7 20:46:46 2005 UTC vs.
Revision 2308 by chuckv, Fri Sep 16 23:04:47 2005 UTC

# Line 113 | Line 113 | class Globals{
113    int    getUseInitXSstate( void )  { return useInitXSstate; }
114    double getOrthoBoxTolerance(void) { return orthoBoxTolerance; }
115    int    getPBC( void )             { return usePBC; }
116 –  int    getUseRF( void )           { return useRF; }
116    char*  getMixingRule( void)       { return mixingRule; }
117    double getZconsTime(void)         { return zcons_time; }
118    double getZconsTol(void)          { return zcons_tol; }
# Line 141 | Line 140 | class Globals{
140    double getOmegaSpringConst(void)  { return therm_int_omega_spring; }
141    double getSurfaceTension(void)    { return surface_tension; }
142    bool   getPrintPressureTensor(void) { return print_pressure_tensor;}
143 <  bool   getUseUndampedWolf(void)   { return useUndampedWolf; }
144 <  bool   getUseDampedWolf(void)     { return useDampedWolf; }
143 >  char*  getElectrostaticSummationMethod(void) { return electrostaticSummationMethod; }
144 >  double getDampingAlpha(void)      { return dampingAlpha; }
145    char*  getCutoffPolicy(void)      { return cutoffPolicy; }
146 +  bool   getCompressDumpFile(void)  { return compressDumpFile;}
147    
148    short int haveDt( void )            { return have_dt; }
149    short int haveRunTime( void )       { return have_run_time; }
# Line 186 | Line 186 | class Globals{
186    short int haveMinLSTol(void)        { return have_minimizer_ls_tol; }
187    short int haveMinLSMaxIter(void)    { return have_minimizer_ls_maxiteration;}
188    short int haveThermIntLambda(void)  { return have_thermodynamic_integration_lambda; }
189 <  short int haveThermIntK(void)    { return have_thermodynamic_integration_k; }
189 >  short int haveThermIntK(void)       { return have_thermodynamic_integration_k; }
190    short int haveForceFieldVariant(void)  { return have_forcefield_variant; }
191    short int haveForceFieldFileName(void) { return have_forcefield_filename; }
192    short int haveDistSpringConst(void)    { return have_dist_spring_constant; }
# Line 194 | Line 194 | class Globals{
194    short int haveOmegaSpringConst(void)   { return have_omega_spring_constant; }
195    short int haveSurfaceTension(void)     { return have_surface_tension; }
196    short int havePrintPressureTensor(void) {return have_print_pressure_tensor;}
197 +  short int haveElectrostaticSummationMethod(void) {return have_electro_sum_method;}
198 +  short int haveDampingAlpha(void)       { return have_damping_alpha; }
199    short int haveCutoffPolicy(void)       { return have_cutoff_policy; }
200 +  short int haveCompressDumpfile(void)   { return have_compress_dumpfile; }
201  
202    /* other accessors */
203    Component** getComponents( void )   { return components; }
# Line 242 | Line 245 | class Globals{
245    int useInitTime;
246    int useInitXSstate;
247    int usePBC;
245 –  int useRF;
248    double q_mass;
249    double tau_thermostat;
250    double tau_barostat;
# Line 273 | Line 275 | class Globals{
275    double therm_int_omega_spring;
276    double surface_tension;
277    bool print_pressure_tensor;
278 <  bool useUndampedWolf;
279 <  bool useDampedWolf;
278 >  char electrostaticSummationMethod[100];
279 >  double dampingAlpha;
280    char cutoffPolicy[100];
281 +  bool compressDumpFile;
282    
283    //required arguments
284    short int have_force_field, have_n_components, have_target_temp;
# Line 305 | Line 308 | class Globals{
308    short int have_omega_spring_constant;
309    short int have_surface_tension;
310    short int have_print_pressure_tensor;
311 +  short int have_electro_sum_method;
312 +  short int have_damping_alpha;
313    short int have_cutoff_policy;
314 +  short int have_compress_dumpfile;
315   };
316  
317   #endif

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