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root/group/trunk/OOPSE/libBASS/Globals.hpp
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Comparing trunk/OOPSE/libBASS/Globals.hpp (file contents):
Revision 745 by mmeineke, Thu Sep 4 21:48:07 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 61 | Line 61 | class Globals{ (public)
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 100 | 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 137 | Line 138 | class Globals{ (public)
138    double est;
139    double dielectric;
140    int tempSet;
141 +  int useInitTime;
142    int usePBC;
143    int useRF;
144    double q_mass;

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