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root/group/trunk/OOPSE/libmdtools/ForceFields.hpp
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Comparing trunk/OOPSE/libmdtools/ForceFields.hpp (file contents):
Revision 1260 by chrisfen, Sat May 22 18:16:18 2004 UTC vs.
Revision 1261 by gezelter, Fri Jun 11 14:14:10 2004 UTC

# Line 58 | Line 58 | class ForceFields{ (public)
58   class ForceFields{
59  
60   public:
61 <  ForceFields(){ frcFile = NULL; entry_plug = NULL; }
61 >  ForceFields(){ frcFile = NULL; entry_plug = NULL; has_variant=0;}
62 >  ForceFields(char * theVariant ){ frcFile = NULL; entry_plug = NULL; has_variant=1; strcpy(variant, theVariant); }
63    virtual ~ForceFields(){}
64    
65    void setSimInfo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; }
66    
67    virtual void readParams( void ) = 0;
68 +  
69    virtual void cleanMe( void ) = 0;
70    
71  
# Line 97 | Line 99 | class ForceFields{ (public)
99    int lineNum;
100    char readLine[500];
101    char* eof_test;
102 +  char variant[100];
103 +  short int has_variant;
104    double bigSigma;
105  
106   };
# Line 156 | Line 160 | class EAM_FF : public ForceFields{ (public)
160  
161   public:
162    EAM_FF();
163 +  EAM_FF(char* the_variant);
164    virtual ~EAM_FF();
165    
166  

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