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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 708 by tim, Wed Aug 20 22:23:34 2003 UTC vs.
Revision 828 by gezelter, Tue Oct 28 16:03:06 2003 UTC

# Line 3 | Line 3
3  
4   #include <iostream>
5  
6 < #include <cstdlib>
6 > #include <stdlib.h>
7   #include <vector>
8  
9   #include "BASS_interface.h"
# Line 55 | Line 55 | class Globals{ (public)
55    double getBoxZ( void )            { return box_z; }
56    double getSampleTime( void )      { return sample_time; }
57    double getStatusTime( void )      { return status_time; }
58 +  double getResetTime( void )      { return resetTime; }
59    double getThermalTime( void )     { return thermal_time; }
60    double getDielectric( void )      { return dielectric; }
61    double getECR( void)              { return ecr; }
62    double getEST( void)              { return est; }
63    int    getTempSet( void )         { return tempSet; }
64 +  int    getUseInitTime( void )         { return useInitTime; }
65    int    getPBC( void )             { return usePBC;}
66    int    getUseRF( void )           { return useRF;}
67    char*  getMixingRule( void)       { return mixingRule;}
# Line 77 | Line 79 | class Globals{ (public)
79    short int haveBoxY( void )          { return have_box_y; }
80    short int haveBoxZ( void )          { return have_box_z; }
81    short int haveSampleTime( void )    { return have_sample_time; }
82 +  short int haveResetTime( void )     { return have_reset_time; }
83    short int haveStatusTime( void )    { return have_status_time; }
84    short int haveThermalTime( void )   { return have_thermal_time; }
85    short int haveECR( void )           { return have_ecr; }
# Line 98 | Line 101 | class Globals{ (public)
101    
102   private:
103    
104 <  static const int hash_size = 23;
105 <  static const int hash_shift = 4;
104 >  int hash_size;
105 >  int hash_shift;
106    int hash( char* text );
107    void addHash( char* text, int token );
108    LinkedCommand** command_table;
# Line 129 | Line 132 | class Globals{ (public)
132    double box_x, box_y, box_z;
133    double sample_time;
134    double status_time;
135 +  double resetTime;
136    double thermal_time;
137    double ecr;
138    double est;
139    double dielectric;
140    int tempSet;
141 +  int useInitTime;
142    int usePBC;
143    int useRF;
144    double q_mass;
# Line 156 | Line 161 | class Globals{ (public)
161    short int have_tau_thermostat, have_tau_barostat;
162    short int have_zcons_time, have_zConstraints, have_n_zConstraints;
163    short int have_zcons_tol, have_seed;  
164 <  short int have_zcons_force_policy;
164 >  short int have_zcons_force_policy, have_reset_time;
165  
166   };
167  

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