54 |
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55 |
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public: |
56 |
|
ForceFields(){ frcFile = NULL; entry_plug = NULL; } |
57 |
< |
~ForceFields(){} |
57 |
> |
virtual ~ForceFields(){} |
58 |
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59 |
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void setSimInfo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; } |
60 |
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virtual void initializeAtoms( void ) = 0; |
73 |
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74 |
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public: |
75 |
|
TraPPEFF(); |
76 |
< |
~TraPPEFF(); |
76 |
> |
virtual ~TraPPEFF(); |
77 |
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|
78 |
|
void initializeAtoms( void ); |
79 |
|
void initializeBonds( bond_pair* the_bonds ); |
86 |
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|
87 |
|
public: |
88 |
|
DipoleTestFF(); |
89 |
< |
~DipoleTestFF(); |
89 |
> |
virtual ~DipoleTestFF(); |
90 |
|
|
91 |
|
void initializeAtoms( void ); |
92 |
|
void initializeBonds( bond_pair* the_bonds ); |
98 |
|
|
99 |
|
public: |
100 |
|
TraPPE_ExFF(); |
101 |
< |
~TraPPE_ExFF(); |
101 |
> |
virtual ~TraPPE_ExFF(); |
102 |
|
|
103 |
|
void initializeAtoms( void ); |
104 |
|
void initializeBonds( bond_pair* the_bonds ); |