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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 2297 by chrisfen, Thu Sep 15 00:14:35 2005 UTC vs.
Revision 2328 by chuckv, Mon Sep 26 15:58:17 2005 UTC

# Line 108 | Line 108 | class Globals{
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; }
115    double getOrthoBoxTolerance(void) { return orthoBoxTolerance; }
116    int    getPBC( void )             { return usePBC; }
116 –  int    getUseRF( void )           { return useRF; }
117    char*  getMixingRule( void)       { return mixingRule; }
118    double getZconsTime(void)         { return zcons_time; }
119    double getZconsTol(void)          { return zcons_tol; }
# Line 141 | Line 141 | class Globals{
141    double getOmegaSpringConst(void)  { return therm_int_omega_spring; }
142    double getSurfaceTension(void)    { return surface_tension; }
143    bool   getPrintPressureTensor(void) { return print_pressure_tensor;}
144 <  char*  getCoulombicCorrection(void) { return coulombicCorrection; }
144 >  char*  getElectrostaticSummationMethod(void) { return electrostaticSummationMethod; }
145    double getDampingAlpha(void)      { return dampingAlpha; }
146    char*  getCutoffPolicy(void)      { return cutoffPolicy; }
147 +  bool   getCompressDumpFile(void)  { return compressDumpFile;}
148    
149    short int haveDt( void )            { return have_dt; }
150    short int haveRunTime( void )       { return have_run_time; }
# Line 194 | Line 195 | class Globals{
195    short int haveOmegaSpringConst(void)   { return have_omega_spring_constant; }
196    short int haveSurfaceTension(void)     { return have_surface_tension; }
197    short int havePrintPressureTensor(void) {return have_print_pressure_tensor;}
198 <  short int haveCoulombicCorrection(void) {return have_coulombic_correction;}
198 >  short int haveElectrostaticSummationMethod(void) {return have_electro_sum_method;}
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; }
# Line 239 | Line 242 | class Globals{
242    double thermal_time;
243    double rcut;
244    double rsw;
245 +  double skinThickness;
246    double dielectric;
247    int tempSet;
248    int useInitTime;
249    int useInitXSstate;
250    int usePBC;
247 –  int useRF;
251    double q_mass;
252    double tau_thermostat;
253    double tau_barostat;
# Line 275 | Line 278 | class Globals{
278    double therm_int_omega_spring;
279    double surface_tension;
280    bool print_pressure_tensor;
281 <  char coulombicCorrection[100];
281 >  char electrostaticSummationMethod[100];
282    double dampingAlpha;
283    char cutoffPolicy[100];
284 +  bool compressDumpFile;
285    
286    //required arguments
287    short int have_force_field, have_n_components, have_target_temp;
# Line 307 | Line 311 | class Globals{
311    short int have_omega_spring_constant;
312    short int have_surface_tension;
313    short int have_print_pressure_tensor;
314 <  short int have_coulombic_correction;
314 >  short int have_electro_sum_method;
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

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